NPASS Natural Product

Natural Product: NPC19290

Natural Product ID:	NPC19290
Common Name:	(4E,6E)-1-(4-Hydroxyphenyl)-7-(4-Methoxyphenyl)Hepta-4,6-Dien-3-One
IUPAC Name:	(4E,6E)-1-(4-hydroxyphenyl)-7-(4-methoxyphenyl)hepta-4,6-dien-3-one
Synonyms:
Molecular Formula:	C20H20O3
Standard InCHIKey:	LIAJVWYMSGZMPR-ZUVMSYQZSA-N
Standard InCHI:	InChI=1S/C20H20O3/c1-23-20-14-9-16(10-15-20)4-2-3-5-18(21)11-6-17-7-12-19(22)13-8-17/h2-5,7-10,12-15,22H,6,11H2,1H3/b4-2+,5-3+
Canonical SMILES:	COc1ccc(cc1)/C=C/C=C/C(=O)CCc1ccc(cc1)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO14409	Dioscorea nipponica	Species	Dioscoreaceae	Eukaryota	Rhizomes			PMID[23707257]

Biological Activity

Activity Type	# Activity
IC50	1
Others	1

Activity Type	# Activity
Cell Line	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT34	Cell Line	BV-2	Mus musculus	IC50	=	8440	nM	10498214
NPT34	Cell Line	BV-2	Mus musculus	Activity	=	18.5	%	17043131

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 NPC19290 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	170
0.1-0.2	1036
0.2-0.3	2218
0.3-0.4	5773
0.4-0.5	7351
0.5-0.6	2813
0.6-0.7	6797
0.7-0.8	4348
0.8-0.85	306
0.85-0.9	67
0.9-0.95	10
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.9076	High Similarity	NPC179777
0.9074	High Similarity	NPC69332
0.9074	High Similarity	NPC29989
0.9074	High Similarity	NPC95178
0.9035	High Similarity	NPC469954
0.9	High Similarity	NPC123228
0.9	High Similarity	NPC5018
0.9	High Similarity	NPC123722
0.9	High Similarity	NPC276466
0.9	High Similarity	NPC151167
0.8938	High Similarity	NPC114144
0.8917	High Similarity	NPC303680
0.8917	High Similarity	NPC90128
0.8917	High Similarity	NPC84076
0.8899	High Similarity	NPC113457
0.8899	High Similarity	NPC70843
0.8879	High Similarity	NPC264976
0.886	High Similarity	NPC23402
0.8852	High Similarity	NPC304622
0.8829	High Similarity	NPC88141
0.8824	High Similarity	NPC4181
0.8824	High Similarity	NPC257976
0.8824	High Similarity	NPC242372
0.8824	High Similarity	NPC164778
0.8796	High Similarity	NPC298224
0.877	High Similarity	NPC2596
0.875	High Similarity	NPC312404
0.875	High Similarity	NPC273686
0.8739	High Similarity	NPC114298
0.8716	High Similarity	NPC261573
0.8716	High Similarity	NPC38209
0.8716	High Similarity	NPC120693
0.8716	High Similarity	NPC8931
0.8696	High Similarity	NPC51345
0.8696	High Similarity	NPC296526
0.8678	High Similarity	NPC53305
0.8678	High Similarity	NPC257589
0.8673	High Similarity	NPC23332
0.8667	High Similarity	NPC473942
0.8661	High Similarity	NPC234639
0.864	High Similarity	NPC112192
0.864	High Similarity	NPC128348
0.864	High Similarity	NPC189106
0.864	High Similarity	NPC309717
0.864	High Similarity	NPC66384
0.864	High Similarity	NPC164236
0.8629	High Similarity	NPC469929
0.8629	High Similarity	NPC247779
0.8629	High Similarity	NPC245395
0.8609	High Similarity	NPC285350
0.8607	High Similarity	NPC127937
0.8607	High Similarity	NPC276014
0.8607	High Similarity	NPC92207
0.8595	High Similarity	NPC89630
0.8584	High Similarity	NPC183648
0.8584	High Similarity	NPC116842
0.8571	High Similarity	NPC201959
0.8571	High Similarity	NPC75440
0.8571	High Similarity	NPC131868
0.8559	High Similarity	NPC188677
0.8512	High Similarity	NPC106659
0.8512	High Similarity	NPC160900
0.8512	High Similarity	NPC18984
0.8512	High Similarity	NPC229084
0.8504	High Similarity	NPC192304
0.8504	High Similarity	NPC175098
0.8504	High Similarity	NPC472365
0.8504	High Similarity	NPC242294
0.8504	High Similarity	NPC188646
0.8504	High Similarity	NPC337373
0.8504	High Similarity	NPC27643
0.8504	High Similarity	NPC139813
0.8504	High Similarity	NPC312318
0.8504	High Similarity	NPC263670
0.8504	High Similarity	NPC56031
0.85	High Similarity	NPC201777
0.85	High Similarity	NPC251259
0.8492	Intermediate Similarity	NPC64359
0.8492	Intermediate Similarity	NPC475008
0.8492	Intermediate Similarity	NPC186097
0.8492	Intermediate Similarity	NPC475009
0.8492	Intermediate Similarity	NPC262359
0.8492	Intermediate Similarity	NPC308037
0.848	Intermediate Similarity	NPC172673
0.848	Intermediate Similarity	NPC66905
0.8468	Intermediate Similarity	NPC226661
0.8462	Intermediate Similarity	NPC128249
0.8462	Intermediate Similarity	NPC28951
0.8462	Intermediate Similarity	NPC325646
0.8455	Intermediate Similarity	NPC68269
0.8438	Intermediate Similarity	NPC286336
0.8426	Intermediate Similarity	NPC201967
0.8426	Intermediate Similarity	NPC260000
0.8426	Intermediate Similarity	NPC175298
0.8425	Intermediate Similarity	NPC212631
0.8425	Intermediate Similarity	NPC205468
0.8425	Intermediate Similarity	NPC129132
0.8425	Intermediate Similarity	NPC257756
0.8425	Intermediate Similarity	NPC87231
0.8421	Intermediate Similarity	NPC183700
0.8421	Intermediate Similarity	NPC252544
0.8421	Intermediate Similarity	NPC321252
0.8421	Intermediate Similarity	NPC21162
0.8417	Intermediate Similarity	NPC60962
0.8417	Intermediate Similarity	NPC189844
0.8417	Intermediate Similarity	NPC109083
0.8417	Intermediate Similarity	NPC224814
0.8417	Intermediate Similarity	NPC14007
0.8417	Intermediate Similarity	NPC269843
0.8417	Intermediate Similarity	NPC158949
0.8407	Intermediate Similarity	NPC17525
0.8407	Intermediate Similarity	NPC206341
0.8403	Intermediate Similarity	NPC299406
0.8403	Intermediate Similarity	NPC61779
0.8393	Intermediate Similarity	NPC1065
0.839	Intermediate Similarity	NPC280001
0.8387	Intermediate Similarity	NPC22783
0.8378	Intermediate Similarity	NPC474603
0.8378	Intermediate Similarity	NPC2518
0.8378	Intermediate Similarity	NPC12987
0.8376	Intermediate Similarity	NPC322197
0.8374	Intermediate Similarity	NPC3221
0.8372	Intermediate Similarity	NPC131039
0.8362	Intermediate Similarity	NPC35344
0.8362	Intermediate Similarity	NPC141003
0.8362	Intermediate Similarity	NPC109241
0.8361	Intermediate Similarity	NPC163083
0.8359	Intermediate Similarity	NPC20560
0.8359	Intermediate Similarity	NPC28753
0.8359	Intermediate Similarity	NPC18877
0.8359	Intermediate Similarity	NPC144051
0.8359	Intermediate Similarity	NPC204960
0.8359	Intermediate Similarity	NPC82225
0.8359	Intermediate Similarity	NPC159623
0.8359	Intermediate Similarity	NPC294593
0.8349	Intermediate Similarity	NPC280869
0.8349	Intermediate Similarity	NPC130193
0.8348	Intermediate Similarity	NPC177576
0.8346	Intermediate Similarity	NPC239302
0.8346	Intermediate Similarity	NPC313618
0.8333	Intermediate Similarity	NPC474874
0.8333	Intermediate Similarity	NPC244246
0.8333	Intermediate Similarity	NPC137427
0.8333	Intermediate Similarity	NPC474272
0.8333	Intermediate Similarity	NPC65935
0.8333	Intermediate Similarity	NPC95172
0.8333	Intermediate Similarity	NPC311419
0.8333	Intermediate Similarity	NPC123196
0.8333	Intermediate Similarity	NPC215941
0.8333	Intermediate Similarity	NPC319282
0.8333	Intermediate Similarity	NPC275724
0.8333	Intermediate Similarity	NPC470092
0.8319	Intermediate Similarity	NPC471033
0.8319	Intermediate Similarity	NPC311091
0.8319	Intermediate Similarity	NPC141523
0.8319	Intermediate Similarity	NPC249435
0.8319	Intermediate Similarity	NPC226699
0.8319	Intermediate Similarity	NPC260952
0.8308	Intermediate Similarity	NPC150399
0.8308	Intermediate Similarity	NPC477244
0.8308	Intermediate Similarity	NPC472367
0.8308	Intermediate Similarity	NPC12165
0.8308	Intermediate Similarity	NPC472364
0.8308	Intermediate Similarity	NPC1486
0.8308	Intermediate Similarity	NPC477243
0.8308	Intermediate Similarity	NPC476333
0.8308	Intermediate Similarity	NPC41461
0.8308	Intermediate Similarity	NPC168105
0.8308	Intermediate Similarity	NPC477242
0.8308	Intermediate Similarity	NPC25287
0.8308	Intermediate Similarity	NPC24394
0.8308	Intermediate Similarity	NPC240593
0.8308	Intermediate Similarity	NPC66349
0.8308	Intermediate Similarity	NPC249606
0.8308	Intermediate Similarity	NPC274109
0.8308	Intermediate Similarity	NPC473391
0.8308	Intermediate Similarity	NPC213603
0.8308	Intermediate Similarity	NPC98115
0.8308	Intermediate Similarity	NPC186838
0.8305	Intermediate Similarity	NPC277394
0.8305	Intermediate Similarity	NPC61062
0.8305	Intermediate Similarity	NPC299252
0.8293	Intermediate Similarity	NPC193805
0.8293	Intermediate Similarity	NPC221798
0.8288	Intermediate Similarity	NPC135784
0.8281	Intermediate Similarity	NPC327410
0.8279	Intermediate Similarity	NPC286573
0.8279	Intermediate Similarity	NPC49441
0.8276	Intermediate Similarity	NPC199462
0.8261	Intermediate Similarity	NPC222905
0.8246	Intermediate Similarity	NPC31274
0.8246	Intermediate Similarity	NPC317305
0.8244	Intermediate Similarity	NPC153979
0.8244	Intermediate Similarity	NPC188879
0.8244	Intermediate Similarity	NPC23870
0.8244	Intermediate Similarity	NPC317119
0.8244	Intermediate Similarity	NPC472419
0.8244	Intermediate Similarity	NPC284409
0.824	Intermediate Similarity	NPC32163
0.824	Intermediate Similarity	NPC16651

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC19290 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	190
0.1-0.2	915
0.2-0.3	1043
0.3-0.4	2020
0.4-0.5	2468
0.5-0.6	1402
0.6-0.7	885
0.7-0.8	215
0.8-0.85	20
0.85-0.9	3
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8684	High Similarity	NPD1241	Discontinued
0.8583	High Similarity	NPD3972	Approved
0.8512	High Similarity	NPD4379	Clinical (unspecified phase)
0.8346	Intermediate Similarity	NPD1240	Approved
0.8319	Intermediate Similarity	NPD1894	Discontinued
0.8293	Intermediate Similarity	NPD1876	Approved
0.8264	Intermediate Similarity	NPD3847	Discontinued
0.825	Intermediate Similarity	NPD1651	Approved
0.8235	Intermediate Similarity	NPD5536	Phase 2
0.8226	Intermediate Similarity	NPD2797	Approved
0.8217	Intermediate Similarity	NPD1607	Approved
0.8197	Intermediate Similarity	NPD1535	Discovery
0.8168	Intermediate Similarity	NPD2935	Discontinued
0.816	Intermediate Similarity	NPD2798	Approved
0.8148	Intermediate Similarity	NPD2934	Approved
0.8148	Intermediate Similarity	NPD2933	Approved
0.813	Intermediate Similarity	NPD1481	Phase 2
0.8073	Intermediate Similarity	NPD2860	Approved
0.8073	Intermediate Similarity	NPD2859	Approved
0.807	Intermediate Similarity	NPD3134	Approved
0.8047	Intermediate Similarity	NPD3268	Approved
0.8017	Intermediate Similarity	NPD9545	Approved
0.8	Intermediate Similarity	NPD1283	Approved
0.7985	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.797	Intermediate Similarity	NPD2344	Approved
0.7955	Intermediate Similarity	NPD2799	Discontinued
0.7955	Intermediate Similarity	NPD1510	Phase 2
0.7937	Intermediate Similarity	NPD1203	Approved
0.7913	Intermediate Similarity	NPD968	Approved
0.7907	Intermediate Similarity	NPD6798	Discontinued
0.7907	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7903	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7863	Intermediate Similarity	NPD5451	Approved
0.7857	Intermediate Similarity	NPD3020	Approved
0.7851	Intermediate Similarity	NPD9493	Approved
0.7846	Intermediate Similarity	NPD4062	Phase 3
0.7846	Intermediate Similarity	NPD6233	Phase 2
0.7845	Intermediate Similarity	NPD1358	Approved
0.7815	Intermediate Similarity	NPD5535	Approved
0.7812	Intermediate Similarity	NPD9494	Approved
0.7794	Intermediate Similarity	NPD4628	Phase 3
0.7794	Intermediate Similarity	NPD7003	Approved
0.7778	Intermediate Similarity	NPD2684	Approved
0.7778	Intermediate Similarity	NPD1549	Phase 2
0.776	Intermediate Similarity	NPD1281	Approved
0.7752	Intermediate Similarity	NPD6832	Phase 2
0.7742	Intermediate Similarity	NPD4626	Approved
0.7737	Intermediate Similarity	NPD2309	Approved
0.7731	Intermediate Similarity	NPD228	Approved
0.7727	Intermediate Similarity	NPD6355	Discontinued
0.7704	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7704	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD9717	Approved
0.7698	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD1608	Approved
0.7664	Intermediate Similarity	NPD3750	Approved
0.7656	Intermediate Similarity	NPD3266	Approved
0.7656	Intermediate Similarity	NPD3267	Approved
0.7652	Intermediate Similarity	NPD3140	Approved
0.7652	Intermediate Similarity	NPD3142	Approved
0.7638	Intermediate Similarity	NPD6583	Phase 3
0.7638	Intermediate Similarity	NPD6582	Phase 2
0.7638	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7634	Intermediate Similarity	NPD3764	Approved
0.7634	Intermediate Similarity	NPD2313	Discontinued
0.763	Intermediate Similarity	NPD2796	Approved
0.7619	Intermediate Similarity	NPD422	Phase 1
0.7615	Intermediate Similarity	NPD2614	Approved
0.7603	Intermediate Similarity	NPD5283	Phase 1
0.76	Intermediate Similarity	NPD2932	Approved
0.76	Intermediate Similarity	NPD3019	Approved
0.7581	Intermediate Similarity	NPD1548	Phase 1
0.7578	Intermediate Similarity	NPD3225	Approved
0.7571	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD4308	Phase 3
0.7554	Intermediate Similarity	NPD7440	Discontinued
0.7542	Intermediate Similarity	NPD9265	Clinical (unspecified phase)
0.7521	Intermediate Similarity	NPD821	Approved
0.7521	Intermediate Similarity	NPD7843	Approved
0.752	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.752	Intermediate Similarity	NPD5585	Approved
0.75	Intermediate Similarity	NPD6799	Approved
0.75	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD4476	Approved
0.75	Intermediate Similarity	NPD4477	Approved
0.7483	Intermediate Similarity	NPD7458	Discontinued
0.7482	Intermediate Similarity	NPD2354	Approved
0.748	Intermediate Similarity	NPD6671	Approved
0.7462	Intermediate Similarity	NPD6584	Phase 3
0.746	Intermediate Similarity	NPD2667	Approved
0.746	Intermediate Similarity	NPD17	Approved
0.746	Intermediate Similarity	NPD2668	Approved
0.7445	Intermediate Similarity	NPD2343	Clinical (unspecified phase)
0.7442	Intermediate Similarity	NPD196	Phase 1
0.7436	Intermediate Similarity	NPD5909	Discontinued
0.7436	Intermediate Similarity	NPD1237	Approved
0.7431	Intermediate Similarity	NPD4380	Phase 2
0.7424	Intermediate Similarity	NPD7095	Approved
0.7424	Intermediate Similarity	NPD5163	Phase 2
0.741	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7402	Intermediate Similarity	NPD3496	Discontinued
0.7394	Intermediate Similarity	NPD6273	Approved
0.7391	Intermediate Similarity	NPD4534	Discontinued
0.7388	Intermediate Similarity	NPD4060	Phase 1
0.7388	Intermediate Similarity	NPD2979	Phase 3
0.7381	Intermediate Similarity	NPD5691	Approved
0.7379	Intermediate Similarity	NPD7411	Suspended
0.7373	Intermediate Similarity	NPD9697	Approved
0.7372	Intermediate Similarity	NPD1551	Phase 2
0.7357	Intermediate Similarity	NPD3887	Approved
0.7348	Intermediate Similarity	NPD4908	Phase 1
0.7345	Intermediate Similarity	NPD1432	Clinical (unspecified phase)
0.7344	Intermediate Similarity	NPD1610	Phase 2
0.7339	Intermediate Similarity	NPD7157	Approved
0.7338	Intermediate Similarity	NPD2976	Clinical (unspecified phase)
0.7329	Intermediate Similarity	NPD7577	Discontinued
0.7328	Intermediate Similarity	NPD5647	Approved
0.7323	Intermediate Similarity	NPD5846	Approved
0.7323	Intermediate Similarity	NPD6516	Phase 2
0.7323	Intermediate Similarity	NPD1778	Approved
0.7319	Intermediate Similarity	NPD2346	Discontinued
0.7319	Intermediate Similarity	NPD2355	Clinical (unspecified phase)
0.7319	Intermediate Similarity	NPD2353	Approved
0.7315	Intermediate Similarity	NPD111	Approved
0.7313	Intermediate Similarity	NPD8032	Phase 2
0.7299	Intermediate Similarity	NPD7033	Discontinued
0.7299	Intermediate Similarity	NPD3748	Approved
0.7297	Intermediate Similarity	NPD3882	Suspended
0.7293	Intermediate Similarity	NPD3027	Phase 3
0.7286	Intermediate Similarity	NPD8166	Discontinued
0.728	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.728	Intermediate Similarity	NPD3596	Phase 2
0.7279	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2801	Approved
0.7273	Intermediate Similarity	NPD454	Approved
0.7273	Intermediate Similarity	NPD3021	Approved
0.7273	Intermediate Similarity	NPD5049	Phase 3
0.7273	Intermediate Similarity	NPD2861	Phase 2
0.7273	Intermediate Similarity	NPD3022	Approved
0.7266	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD7596	Clinical (unspecified phase)
0.7266	Intermediate Similarity	NPD5958	Discontinued
0.7259	Intermediate Similarity	NPD4307	Phase 2
0.7254	Intermediate Similarity	NPD1511	Approved
0.7252	Intermediate Similarity	NPD1164	Approved
0.725	Intermediate Similarity	NPD290	Approved
0.7248	Intermediate Similarity	NPD7075	Discontinued
0.7246	Intermediate Similarity	NPD1519	Approved
0.7246	Intermediate Similarity	NPD6099	Approved
0.7246	Intermediate Similarity	NPD1537	Approved
0.7246	Intermediate Similarity	NPD6100	Approved
0.7246	Intermediate Similarity	NPD1538	Phase 1
0.7241	Intermediate Similarity	NPD1238	Approved
0.7239	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7231	Intermediate Similarity	NPD4359	Approved
0.723	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD1934	Approved
0.7209	Intermediate Similarity	NPD1201	Approved
0.7207	Intermediate Similarity	NPD9295	Approved
0.7206	Intermediate Similarity	NPD1933	Approved
0.7206	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7206	Intermediate Similarity	NPD4340	Discontinued
0.7203	Intermediate Similarity	NPD4662	Approved
0.7203	Intermediate Similarity	NPD4661	Approved
0.72	Intermediate Similarity	NPD256	Approved
0.72	Intermediate Similarity	NPD255	Approved
0.7194	Intermediate Similarity	NPD6800	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD6599	Discontinued
0.719	Intermediate Similarity	NPD74	Approved
0.719	Intermediate Similarity	NPD9266	Approved
0.7181	Intermediate Similarity	NPD7768	Phase 2
0.7179	Intermediate Similarity	NPD3028	Approved
0.7165	Intermediate Similarity	NPD6581	Approved
0.7165	Intermediate Similarity	NPD6580	Approved
0.7163	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD4110	Phase 3
0.7162	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7162	Intermediate Similarity	NPD7819	Suspended
0.7154	Intermediate Similarity	NPD2232	Approved
0.7154	Intermediate Similarity	NPD2233	Approved
0.7154	Intermediate Similarity	NPD2230	Approved
0.7153	Intermediate Similarity	NPD6651	Approved
0.7153	Intermediate Similarity	NPD1512	Approved
0.7143	Intermediate Similarity	NPD2424	Discontinued
0.7133	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD3769	Discontinued
0.7122	Intermediate Similarity	NPD1522	Approved
0.7122	Intermediate Similarity	NPD2531	Phase 2
0.7122	Intermediate Similarity	NPD2438	Suspended
0.7122	Intermediate Similarity	NPD1523	Approved
0.7121	Intermediate Similarity	NPD1470	Approved
0.712	Intermediate Similarity	NPD690	Clinical (unspecified phase)
0.7119	Intermediate Similarity	NPD940	Approved
0.7119	Intermediate Similarity	NPD846	Approved
0.7114	Intermediate Similarity	NPD2296	Approved
0.7111	Intermediate Similarity	NPD411	Approved
0.7109	Intermediate Similarity	NPD6830	Clinical (unspecified phase)
0.7107	Intermediate Similarity	NPD9264	Approved
0.7107	Intermediate Similarity	NPD9267	Approved

Structure

NPC19290 OpenBabel07101719242D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 -1.5000 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 5.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -3.0000 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 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6603 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.0000 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5263 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 16 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 17 2 0 0 0 0 8 13 2 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	73353552
ChEMBL	CHEMBL2398586
ZINC

Physicochemical Properties

Molecular Weight:	308.14
ALogP:	0.1502
MLogP:	3.33
XLogP:	5.072
# Rotatable Bonds:	9
Polar Surface Area:	46.53
# H-Bond Aceptor:	1
# H-Bond Donor:	1
# Rings:	2
# Heavy Atoms:	23

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