NPASS Natural Product

Natural Product: NPC187907

Natural Product ID:	NPC187907
Common Name:	5-Hydroxy-2-Nonylchromen-4-One
IUPAC Name:	5-hydroxy-2-nonylchromen-4-one
Synonyms:
Molecular Formula:	C18H24O3
Standard InCHIKey:	SNEHYEVNOARYTM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-10-14-13-16(20)18-15(19)11-9-12-17(18)21-14/h9,11-13,19H,2-8,10H2,1H3
Canonical SMILES:	CCCCCCCCCc1cc(=O)c2c(o1)cccc2O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO28731	Trifolium fragiferum	Species	Fabaceae	Eukaryota	UNPD*
NPO22929	Cichorium pumilum	Species	Asteraceae	Eukaryota	UNPD*
NPO25616	Polygala macra	Species	Polygalaceae	Eukaryota	UNPD*
NPO14647	Tylopilus felleus	Species	Boletaceae	Eukaryota	UNPD*
NPO25405	Haemophilus influenzae	Species	Pasteurellaceae	Bacteria	UNPD*
NPO24819	Inezia integrifolia	Species	Asteraceae	Eukaryota	UNPD*
NPO22132	Hordeum vulgare	Species	Poaceae	Eukaryota	UNPD*
NPO25434	Asparagus adscendens	Species	Asparagaceae	Eukaryota	UNPD*
NPO22591	Lonchocarpus xuul	Species	Fabaceae	Eukaryota	UNPD*
NPO24469	Myeloconis erumpens	Species	Myeloconidaceae	Eukaryota	UNPD*
NPO24632	Salvia hydrangea	Species	Lamiaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
GI50	58

Activity Type	# Activity
Cell Line	58

Target ID	Target Type	Target Name	Target Organism	Activity Type	Value	Unit	Reference
NPT368	Cell Line	SN12C	Homo sapiens	GI50	87297.14	nM	PubChem BioAssay data set
NPT370	Cell Line	NCI-H23	Homo sapiens	GI50	65463.62	nM	PubChem BioAssay data set
NPT371	Cell Line	UO-31	Homo sapiens	GI50	37068.07	nM	PubChem BioAssay data set
NPT369	Cell Line	ACHN	Homo sapiens	GI50	42657.95	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	GI50	25234.81	nM	PubChem BioAssay data set
NPT372	Cell Line	HOP-92	Homo sapiens	GI50	57543.99	nM	PubChem BioAssay data set
NPT374	Cell Line	SF-539	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT373	Cell Line	SK-MEL-5	Homo sapiens	GI50	20989.4	nM	PubChem BioAssay data set
NPT375	Cell Line	Malme-3M	Homo sapiens	GI50	19319.68	nM	PubChem BioAssay data set
NPT111	Cell Line	K562	Homo sapiens	GI50	29174.27	nM	PubChem BioAssay data set
NPT377	Cell Line	OVCAR-3	Homo sapiens	GI50	75857.76	nM	PubChem BioAssay data set
NPT112	Cell Line	MOLT-4	Homo sapiens	GI50	20370.42	nM	PubChem BioAssay data set
NPT379	Cell Line	HOP-62	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT380	Cell Line	U-251	Homo sapiens	GI50	48083.93	nM	PubChem BioAssay data set
NPT382	Cell Line	OVCAR-5	Homo sapiens	GI50	38815.04	nM	PubChem BioAssay data set
NPT381	Cell Line	OVCAR-8	Homo sapiens	GI50	38725.76	nM	PubChem BioAssay data set
NPT572	Cell Line	DMS-273	Homo sapiens	GI50	41783.04	nM	PubChem BioAssay data set
NPT383	Cell Line	SNB-19	Homo sapiens	GI50	74301.91	nM	PubChem BioAssay data set
NPT385	Cell Line	SR	Homo sapiens	GI50	37411.06	nM	PubChem BioAssay data set
NPT384	Cell Line	TK-10	Homo sapiens	GI50	53951.06	nM	PubChem BioAssay data set
NPT323	Cell Line	SW-620	Homo sapiens	GI50	57942.87	nM	PubChem BioAssay data set
NPT573	Cell Line	M19-MEL	Homo sapiens	GI50	10000	nM	PubChem BioAssay data set
NPT455	Cell Line	NCI-H522	Homo sapiens	GI50	34914.03	nM	PubChem BioAssay data set
NPT386	Cell Line	KM12	Homo sapiens	GI50	40644.33	nM	PubChem BioAssay data set
NPT387	Cell Line	M14	Homo sapiens	GI50	39355.01	nM	PubChem BioAssay data set
NPT574	Cell Line	XF498	Homo sapiens	GI50	31188.9	nM	PubChem BioAssay data set
NPT388	Cell Line	NCI-H322M	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT389	Cell Line	RPMI-8226	Homo sapiens	GI50	38194.43	nM	PubChem BioAssay data set
NPT456	Cell Line	OVCAR-4	Homo sapiens	GI50	50699.07	nM	PubChem BioAssay data set
NPT390	Cell Line	LOX IMVI	Homo sapiens	GI50	22750.97	nM	PubChem BioAssay data set
NPT147	Cell Line	SK-MEL-2	Homo sapiens	GI50	23173.95	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	GI50	41783.04	nM	PubChem BioAssay data set
NPT391	Cell Line	HCC 2998	Homo sapiens	GI50	65012.97	nM	PubChem BioAssay data set
NPT392	Cell Line	SNB-75	Homo sapiens	GI50	10000	nM	PubChem BioAssay data set
NPT148	Cell Line	HCT-15	Homo sapiens	GI50	41304.75	nM	PubChem BioAssay data set
NPT393	Cell Line	HCT-116	Homo sapiens	GI50	30269.13	nM	PubChem BioAssay data set
NPT395	Cell Line	SF-268	Homo sapiens	GI50	31841.98	nM	PubChem BioAssay data set
NPT394	Cell Line	EKVX	Homo sapiens	GI50	51760.68	nM	PubChem BioAssay data set
NPT731	Cell Line	LXFL 529	Homo sapiens	GI50	39174.19	nM	PubChem BioAssay data set
NPT576	Cell Line	DMS-114	Homo sapiens	GI50	32960.97	nM	PubChem BioAssay data set
NPT146	Cell Line	SK-OV-3	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	56234.13	nM	PubChem BioAssay data set
NPT398	Cell Line	UACC-62	Homo sapiens	GI50	58210.32	nM	PubChem BioAssay data set
NPT308	Cell Line	CAKI-1	Homo sapiens	GI50	69342.58	nM	PubChem BioAssay data set
NPT458	Cell Line	IGROV-1	Homo sapiens	GI50	79615.94	nM	PubChem BioAssay data set
NPT399	Cell Line	SF-295	Homo sapiens	GI50	46344.69	nM	PubChem BioAssay data set
NPT577	Cell Line	RXF 631	Homo sapiens	GI50	65614.53	nM	PubChem BioAssay data set
NPT578	Cell Line	SNB-78	Homo sapiens	GI50	52966.34	nM	PubChem BioAssay data set
NPT403	Cell Line	UACC-257	Homo sapiens	GI50	36307.81	nM	PubChem BioAssay data set
NPT401	Cell Line	786-0	Homo sapiens	GI50	51404.37	nM	PubChem BioAssay data set
NPT579	Cell Line	DLD-1	Homo sapiens	GI50	61801.64	nM	PubChem BioAssay data set
NPT404	Cell Line	CCRF-CEM	Homo sapiens	GI50	30760.97	nM	PubChem BioAssay data set
NPT405	Cell Line	NCI-H226	Homo sapiens	GI50	38106.58	nM	PubChem BioAssay data set
NPT170	Cell Line	SK-MEL-28	Homo sapiens	GI50	55590.43	nM	PubChem BioAssay data set
NPT139	Cell Line	HT-29	Homo sapiens	GI50	10000	nM	PubChem BioAssay data set
NPT406	Cell Line	RXF 393	Homo sapiens	GI50	52966.34	nM	PubChem BioAssay data set
NPT407	Cell Line	COLO 205	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set
NPT732	Cell Line	HOP-18	Homo sapiens	GI50	100000	nM	PubChem BioAssay data set

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC187907 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	225
0.1-0.2	1162
0.2-0.3	2747
0.3-0.4	7385
0.4-0.5	5745
0.5-0.6	2673
0.6-0.7	5012
0.7-0.8	3907
0.8-0.85	1351
0.85-0.9	573
0.9-0.95	104
0.95-1	5

Similarity Score	Similarity Level	Natural Product ID
0.96	High Similarity	NPC115998
0.96	High Similarity	NPC39753
0.9528	High Similarity	NPC10971
0.9524	High Similarity	NPC137264
0.952	High Similarity	NPC197425
0.9385	High Similarity	NPC13408
0.937	High Similarity	NPC270369
0.937	High Similarity	NPC5515
0.9297	High Similarity	NPC113006
0.9297	High Similarity	NPC31872
0.9297	High Similarity	NPC473584
0.9297	High Similarity	NPC475589
0.9242	High Similarity	NPC470669
0.9242	High Similarity	NPC470668
0.9237	High Similarity	NPC231772
0.9237	High Similarity	NPC194281
0.9237	High Similarity	NPC473887
0.9237	High Similarity	NPC240593
0.9237	High Similarity	NPC174999
0.9237	High Similarity	NPC127447
0.9237	High Similarity	NPC47815
0.9237	High Similarity	NPC234133
0.9237	High Similarity	NPC29353
0.9237	High Similarity	NPC124784
0.9225	High Similarity	NPC25937
0.9225	High Similarity	NPC128216
0.9225	High Similarity	NPC203817
0.9206	High Similarity	NPC41721
0.9173	High Similarity	NPC220062
0.9173	High Similarity	NPC23257
0.9173	High Similarity	NPC96565
0.9173	High Similarity	NPC55018
0.9173	High Similarity	NPC303633
0.9173	High Similarity	NPC216978
0.9173	High Similarity	NPC301217
0.9167	High Similarity	NPC228661
0.9167	High Similarity	NPC250266
0.9167	High Similarity	NPC266597
0.9167	High Similarity	NPC188879
0.916	High Similarity	NPC151113
0.9154	High Similarity	NPC57601
0.9154	High Similarity	NPC223457
0.9154	High Similarity	NPC274121
0.9154	High Similarity	NPC50898
0.9154	High Similarity	NPC213216
0.9154	High Similarity	NPC108113
0.9154	High Similarity	NPC93756
0.9154	High Similarity	NPC78540
0.9147	High Similarity	NPC475008
0.9147	High Similarity	NPC186097
0.9147	High Similarity	NPC475009
0.9104	High Similarity	NPC305355
0.9104	High Similarity	NPC475680
0.9104	High Similarity	NPC471587
0.9104	High Similarity	NPC241100
0.9104	High Similarity	NPC270883
0.9104	High Similarity	NPC172986
0.9104	High Similarity	NPC159275
0.9104	High Similarity	NPC261227
0.9098	High Similarity	NPC201395
0.9098	High Similarity	NPC124269
0.9098	High Similarity	NPC131130
0.9091	High Similarity	NPC187826
0.9084	High Similarity	NPC144027
0.9084	High Similarity	NPC248872
0.9084	High Similarity	NPC125920
0.9084	High Similarity	NPC172262
0.9084	High Similarity	NPC236974
0.9037	High Similarity	NPC156590
0.9037	High Similarity	NPC90582
0.9037	High Similarity	NPC147688
0.9037	High Similarity	NPC282300
0.9037	High Similarity	NPC205006
0.9037	High Similarity	NPC110969
0.9037	High Similarity	NPC262094
0.9037	High Similarity	NPC118840
0.9037	High Similarity	NPC64908
0.903	High Similarity	NPC18260
0.903	High Similarity	NPC217186
0.903	High Similarity	NPC139554
0.903	High Similarity	NPC241838
0.903	High Similarity	NPC152042
0.903	High Similarity	NPC78913
0.903	High Similarity	NPC143799
0.903	High Similarity	NPC53181
0.9023	High Similarity	NPC332594
0.9015	High Similarity	NPC242712
0.9015	High Similarity	NPC60667
0.9015	High Similarity	NPC101752
0.9008	High Similarity	NPC242294
0.9008	High Similarity	NPC82225
0.9008	High Similarity	NPC337373
0.9008	High Similarity	NPC192304
0.9008	High Similarity	NPC56031
0.9008	High Similarity	NPC204960
0.9008	High Similarity	NPC263670
0.9008	High Similarity	NPC20560
0.9008	High Similarity	NPC188646
0.9008	High Similarity	NPC159623
0.9008	High Similarity	NPC144051
0.9008	High Similarity	NPC472365
0.9008	High Similarity	NPC294593
0.9008	High Similarity	NPC139813
0.9008	High Similarity	NPC28753
0.9008	High Similarity	NPC175098
0.9008	High Similarity	NPC18877
0.9008	High Similarity	NPC312318
0.9	High Similarity	NPC308037
0.9	High Similarity	NPC64359
0.8984	High Similarity	NPC80694
0.8984	High Similarity	NPC473907
0.8984	High Similarity	NPC186098
0.8971	High Similarity	NPC11561
0.8971	High Similarity	NPC78803
0.8971	High Similarity	NPC214236
0.8971	High Similarity	NPC217083
0.8971	High Similarity	NPC293852
0.8971	High Similarity	NPC226636
0.8971	High Similarity	NPC62840
0.8971	High Similarity	NPC1534
0.8971	High Similarity	NPC59739
0.8971	High Similarity	NPC200694
0.8971	High Similarity	NPC299080
0.8968	High Similarity	NPC193805
0.8963	High Similarity	NPC235239
0.8963	High Similarity	NPC110228
0.8963	High Similarity	NPC284550
0.8963	High Similarity	NPC76445
0.8963	High Similarity	NPC103904
0.8963	High Similarity	NPC281207
0.8963	High Similarity	NPC269652
0.8963	High Similarity	NPC188243
0.8963	High Similarity	NPC69769
0.8963	High Similarity	NPC184536
0.8963	High Similarity	NPC59951
0.8963	High Similarity	NPC150522
0.8963	High Similarity	NPC146679
0.8963	High Similarity	NPC6407
0.8963	High Similarity	NPC129853
0.8963	High Similarity	NPC230285
0.8963	High Similarity	NPC103342
0.8955	High Similarity	NPC474504
0.8955	High Similarity	NPC188947
0.8955	High Similarity	NPC474487
0.8955	High Similarity	NPC276905
0.8955	High Similarity	NPC470671
0.8955	High Similarity	NPC99333
0.8955	High Similarity	NPC470672
0.8955	High Similarity	NPC280284
0.8947	High Similarity	NPC470398
0.8947	High Similarity	NPC240147
0.8947	High Similarity	NPC121243
0.8947	High Similarity	NPC187432
0.8947	High Similarity	NPC281917
0.8947	High Similarity	NPC116775
0.8947	High Similarity	NPC156910
0.8947	High Similarity	NPC470397
0.8947	High Similarity	NPC256042
0.8947	High Similarity	NPC216361
0.8939	High Similarity	NPC286336
0.8931	High Similarity	NPC257756
0.8931	High Similarity	NPC212631
0.8931	High Similarity	NPC129132
0.8931	High Similarity	NPC101294
0.8931	High Similarity	NPC473655
0.8931	High Similarity	NPC87231
0.8931	High Similarity	NPC205468
0.8915	High Similarity	NPC473894
0.8915	High Similarity	NPC60558
0.8906	High Similarity	NPC305518
0.8906	High Similarity	NPC49852
0.8906	High Similarity	NPC475496
0.8906	High Similarity	NPC128428
0.8906	High Similarity	NPC22783
0.8905	High Similarity	NPC24821
0.8905	High Similarity	NPC11700
0.8905	High Similarity	NPC293053
0.8905	High Similarity	NPC9117
0.8905	High Similarity	NPC219915
0.8905	High Similarity	NPC212932
0.8905	High Similarity	NPC38219
0.8905	High Similarity	NPC190637
0.8897	High Similarity	NPC136840
0.8897	High Similarity	NPC14871
0.8897	High Similarity	NPC103362
0.8889	High Similarity	NPC20709
0.8889	High Similarity	NPC274784
0.8889	High Similarity	NPC265871
0.8889	High Similarity	NPC329203
0.8889	High Similarity	NPC140890
0.8889	High Similarity	NPC310135
0.8889	High Similarity	NPC150648
0.8889	High Similarity	NPC225153
0.8889	High Similarity	NPC222342
0.8881	High Similarity	NPC160972
0.8881	High Similarity	NPC275055
0.8881	High Similarity	NPC287068
0.8881	High Similarity	NPC290291
0.8881	High Similarity	NPC299379
0.8872	High Similarity	NPC9985

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC187907 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	263
0.1-0.2	918
0.2-0.3	1382
0.3-0.4	2513
0.4-0.5	2029
0.5-0.6	1381
0.6-0.7	481
0.7-0.8	147
0.8-0.85	34
0.85-0.9	13
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8855	High Similarity	NPD1240	Approved
0.8841	High Similarity	NPD4378	Clinical (unspecified phase)
0.8741	High Similarity	NPD1550	Clinical (unspecified phase)
0.8741	High Similarity	NPD1552	Clinical (unspecified phase)
0.8722	High Similarity	NPD1607	Approved
0.8705	High Similarity	NPD7410	Clinical (unspecified phase)
0.8676	High Similarity	NPD1549	Phase 2
0.8667	High Similarity	NPD2796	Approved
0.8593	High Similarity	NPD1510	Phase 2
0.8551	High Similarity	NPD1878	Clinical (unspecified phase)
0.8529	High Similarity	NPD1551	Phase 2
0.8516	High Similarity	NPD9717	Approved
0.85	High Similarity	NPD1511	Approved
0.8462	Intermediate Similarity	NPD1203	Approved
0.8438	Intermediate Similarity	NPD422	Phase 1
0.8417	Intermediate Similarity	NPD3750	Approved
0.8406	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.838	Intermediate Similarity	NPD1512	Approved
0.8369	Intermediate Similarity	NPD6799	Approved
0.8356	Intermediate Similarity	NPD2801	Approved
0.8322	Intermediate Similarity	NPD5403	Approved
0.8231	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.8219	Intermediate Similarity	NPD7411	Suspended
0.8214	Intermediate Similarity	NPD2800	Approved
0.8182	Intermediate Similarity	NPD2797	Approved
0.8182	Intermediate Similarity	NPD5401	Approved
0.8176	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD1934	Approved
0.8151	Intermediate Similarity	NPD4380	Phase 2
0.8148	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8134	Intermediate Similarity	NPD6832	Phase 2
0.8121	Intermediate Similarity	NPD3882	Suspended
0.812	Intermediate Similarity	NPD2798	Approved
0.811	Intermediate Similarity	NPD9493	Approved
0.8085	Intermediate Similarity	NPD1243	Approved
0.8067	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.8067	Intermediate Similarity	NPD7075	Discontinued
0.8058	Intermediate Similarity	NPD3748	Approved
0.8043	Intermediate Similarity	NPD6651	Approved
0.8041	Intermediate Similarity	NPD6801	Discontinued
0.8027	Intermediate Similarity	NPD6599	Discontinued
0.8015	Intermediate Similarity	NPD2313	Discontinued
0.8015	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.8015	Intermediate Similarity	NPD3268	Approved
0.8	Intermediate Similarity	NPD7768	Phase 2
0.8	Intermediate Similarity	NPD6100	Approved
0.8	Intermediate Similarity	NPD6099	Approved
0.7987	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD7819	Suspended
0.7984	Intermediate Similarity	NPD1548	Phase 1
0.7943	Intermediate Similarity	NPD2344	Approved
0.7933	Intermediate Similarity	NPD3817	Phase 2
0.7933	Intermediate Similarity	NPD5402	Approved
0.7929	Intermediate Similarity	NPD2799	Discontinued
0.7902	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7883	Intermediate Similarity	NPD411	Approved
0.7872	Intermediate Similarity	NPD2935	Discontinued
0.7842	Intermediate Similarity	NPD447	Suspended
0.7836	Intermediate Similarity	NPD3225	Approved
0.7832	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7829	Intermediate Similarity	NPD3749	Approved
0.7801	Intermediate Similarity	NPD4308	Phase 3
0.7793	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7761	Intermediate Similarity	NPD4749	Approved
0.7756	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD6166	Phase 2
0.7756	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7756	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7754	Intermediate Similarity	NPD1296	Phase 2
0.7734	Intermediate Similarity	NPD1241	Discontinued
0.7724	Intermediate Similarity	NPD2309	Approved
0.7722	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7722	Intermediate Similarity	NPD7054	Approved
0.7721	Intermediate Similarity	NPD1019	Discontinued
0.7708	Intermediate Similarity	NPD2654	Approved
0.7703	Intermediate Similarity	NPD920	Approved
0.7687	Intermediate Similarity	NPD2534	Approved
0.7687	Intermediate Similarity	NPD2532	Approved
0.7687	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7687	Intermediate Similarity	NPD2533	Approved
0.7677	Intermediate Similarity	NPD6959	Discontinued
0.7676	Intermediate Similarity	NPD7033	Discontinued
0.7673	Intermediate Similarity	NPD7472	Approved
0.7658	Intermediate Similarity	NPD3818	Discontinued
0.7647	Intermediate Similarity	NPD3267	Approved
0.7647	Intermediate Similarity	NPD3266	Approved
0.7625	Intermediate Similarity	NPD6797	Phase 2
0.7619	Intermediate Similarity	NPD9266	Approved
0.7619	Intermediate Similarity	NPD74	Approved
0.7612	Intermediate Similarity	NPD1610	Phase 2
0.7609	Intermediate Similarity	NPD4908	Phase 1
0.76	Intermediate Similarity	NPD3226	Approved
0.7589	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7589	Intermediate Similarity	NPD1933	Approved
0.7578	Intermediate Similarity	NPD7251	Discontinued
0.7576	Intermediate Similarity	NPD9545	Approved
0.7569	Intermediate Similarity	NPD2346	Discontinued
0.7562	Intermediate Similarity	NPD7074	Phase 3
0.7556	Intermediate Similarity	NPD1608	Approved
0.7554	Intermediate Similarity	NPD4625	Phase 3
0.754	Intermediate Similarity	NPD9267	Approved
0.754	Intermediate Similarity	NPD9264	Approved
0.754	Intermediate Similarity	NPD9263	Approved
0.7531	Intermediate Similarity	NPD7808	Phase 3
0.7531	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7518	Intermediate Similarity	NPD4307	Phase 2
0.7518	Intermediate Similarity	NPD943	Approved
0.7516	Intermediate Similarity	NPD5953	Discontinued
0.75	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7286	Phase 2
0.7482	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7481	Intermediate Similarity	NPD1201	Approved
0.7469	Intermediate Similarity	NPD6559	Discontinued
0.7465	Intermediate Similarity	NPD5123	Clinical (unspecified phase)
0.7465	Intermediate Similarity	NPD5124	Phase 1
0.7424	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7423	Intermediate Similarity	NPD4338	Clinical (unspecified phase)
0.7419	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7415	Intermediate Similarity	NPD4628	Phase 3
0.7405	Intermediate Similarity	NPD6232	Discontinued
0.7389	Intermediate Similarity	NPD5494	Approved
0.7376	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7375	Intermediate Similarity	NPD7473	Discontinued
0.7355	Intermediate Similarity	NPD4288	Approved
0.7348	Intermediate Similarity	NPD6671	Approved
0.7333	Intermediate Similarity	NPD1778	Approved
0.7333	Intermediate Similarity	NPD17	Approved
0.7333	Intermediate Similarity	NPD4661	Approved
0.7333	Intermediate Similarity	NPD4662	Approved
0.7329	Intermediate Similarity	NPD5940	Clinical (unspecified phase)
0.7325	Intermediate Similarity	NPD919	Approved
0.7312	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.731	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD1481	Phase 2
0.7299	Intermediate Similarity	NPD3972	Approved
0.728	Intermediate Similarity	NPD846	Approved
0.728	Intermediate Similarity	NPD940	Approved
0.7266	Intermediate Similarity	NPD1470	Approved
0.725	Intermediate Similarity	NPD3926	Phase 2
0.7244	Intermediate Similarity	NPD9697	Approved
0.7239	Intermediate Similarity	NPD1729	Discontinued
0.7234	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7233	Intermediate Similarity	NPD1247	Approved
0.723	Intermediate Similarity	NPD1652	Phase 2
0.7226	Intermediate Similarity	NPD6844	Discontinued
0.7226	Intermediate Similarity	NPD1535	Discovery
0.7222	Intermediate Similarity	NPD230	Phase 1
0.7222	Intermediate Similarity	NPD9261	Approved
0.7211	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7185	Intermediate Similarity	NPD1894	Discontinued
0.7163	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7161	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD3140	Approved
0.7153	Intermediate Similarity	NPD3496	Discontinued
0.7153	Intermediate Similarity	NPD3142	Approved
0.7152	Intermediate Similarity	NPD7390	Discontinued
0.7152	Intermediate Similarity	NPD6104	Discontinued
0.7143	Intermediate Similarity	NPD1164	Approved
0.7143	Intermediate Similarity	NPD9281	Approved
0.7134	Intermediate Similarity	NPD2296	Approved
0.7133	Intermediate Similarity	NPD6798	Discontinued
0.7133	Intermediate Similarity	NPD3764	Approved
0.7132	Intermediate Similarity	NPD290	Approved
0.7105	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD1091	Approved
0.7097	Intermediate Similarity	NPD6585	Discontinued
0.7095	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7095	Intermediate Similarity	NPD6002	Phase 3
0.7095	Intermediate Similarity	NPD6004	Phase 3
0.7095	Intermediate Similarity	NPD6005	Phase 3
0.7095	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7093	Intermediate Similarity	NPD4360	Phase 2
0.7093	Intermediate Similarity	NPD4363	Phase 3
0.7092	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7092	Intermediate Similarity	NPD5647	Approved
0.7081	Intermediate Similarity	NPD5710	Approved
0.7081	Intermediate Similarity	NPD5711	Approved
0.7073	Intermediate Similarity	NPD5844	Phase 1
0.7071	Intermediate Similarity	NPD1876	Approved
0.707	Intermediate Similarity	NPD1465	Phase 2
0.7054	Intermediate Similarity	NPD968	Approved
0.7052	Intermediate Similarity	NPD4361	Phase 2
0.7052	Intermediate Similarity	NPD4362	Clinical (unspecified phase)
0.7051	Intermediate Similarity	NPD5890	Approved
0.7051	Intermediate Similarity	NPD5889	Approved
0.7034	Intermediate Similarity	NPD1613	Approved
0.7034	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7032	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7023	Intermediate Similarity	NPD4750	Phase 3
0.7013	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7007	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.7	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD2403	Approved
0.6988	Remote Similarity	NPD7993	Clinical (unspecified phase)
0.6986	Remote Similarity	NPD6355	Discontinued
0.698	Remote Similarity	NPD1471	Phase 3
0.6966	Remote Similarity	NPD520	Approved
0.6966	Remote Similarity	NPD6233	Phase 2

Structure

CID187907 OpenBabel06191715572D 21 22 0 0 0 0 0 0 0 0999 V2000 -3.4641 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	365028
ChEMBL	CHEMBL1976285
ZINC

Physicochemical Properties

Molecular Weight:	288.17
ALogP:	-2.673
MLogP:	3.11
XLogP:	5.616
# Rotatable Bonds:	10
Polar Surface Area:	46.53
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	21

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