NPASS Natural Product

Natural Product: NPC31363

Natural Product ID:	NPC31363
Common Name:	Intricatinol
IUPAC Name:	(3E)-7,8-dihydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one
Synonyms:	intricatinol
Molecular Formula:	C17H14O5
Standard InCHIKey:	VXIWIIHDWPBCIM-DHZHZOJOSA-N
Standard InCHI:	InChI=1S/C17H14O5/c1-21-12-4-2-10(3-5-12)8-11-9-22-17-13(15(11)19)6-7-14(18)16(17)20/h2-8,18,20H,9H2,1H3/b11-8+
Canonical SMILES:	COc1ccc(cc1)/C=C/1COc2c(C1=O)ccc(c2O)O
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Reference
NPO529	Thalictrum glaucum	Species	Ranunculaceae	Eukaryota	UNPD*
NPO33531	Hoffmanosseggia intricata	Species	NA	NA	PMID[17196384]
NPO22703	Lithoplocamia lithistoides	NA	NA	NA	UNPD*
NPO3816	Aspergillus sulphureus	Species	Aspergillaceae	Eukaryota	UNPD*
NPO19115	Hoya australis	Species	Apocynaceae	Eukaryota	UNPD*
NPO18970	Baccharis patagonica	Species	Asteraceae	Eukaryota	UNPD*
NPO18156	Andrographis lineata	Species	Acanthaceae	Eukaryota	UNPD*
NPO7358	Xanthoparmelia verrucigera	Species	Parmeliaceae	Eukaryota	UNPD*

Biological Activity

Activity Type	# Activity
IC50	2
MIC	1
Others	13

Activity Type	# Activity
Organism	13
Others	3

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	30100	nM	17196384
NPT1	Others	Radical scavenging activity		IC50	=	10100	nM	17196384
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	87	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	57	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	36	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	8	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	70	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	54	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	48	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	26	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	74	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	82	%	2681537
NPT566	Organism	Salmonella typhimurium	Salmonella enterica subsp. enterica serovar Typhimurium	Inhibition	=	30	%	2681537
NPT2	Others	Unspecified		FC	=	2		23832254
NPT1107	Organism	Mycobacterium smegmatis str. MC2 155	Mycobacterium smegmatis str. MC2 155	MIC	=	125	ug/ml	23832254

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 NPC31363 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	296
0.1-0.2	1261
0.2-0.3	2683
0.3-0.4	6595
0.4-0.5	6349
0.5-0.6	2317
0.6-0.7	3342
0.7-0.8	4164
0.8-0.85	1806
0.85-0.9	1376
0.9-0.95	582
0.95-1	118

Similarity Score	Similarity Level	Natural Product ID
0.9931	High Similarity	NPC257648
0.9931	High Similarity	NPC477231
0.9796	High Similarity	NPC2928
0.9793	High Similarity	NPC29231
0.973	High Similarity	NPC472916
0.9728	High Similarity	NPC469550
0.9722	High Similarity	NPC95864
0.9664	High Similarity	NPC299520
0.9664	High Similarity	NPC129684
0.9664	High Similarity	NPC99597
0.9664	High Similarity	NPC210084
0.9662	High Similarity	NPC152951
0.9662	High Similarity	NPC230149
0.9662	High Similarity	NPC57674
0.9662	High Similarity	NPC168247
0.9662	High Similarity	NPC117992
0.966	High Similarity	NPC219582
0.966	High Similarity	NPC236637
0.966	High Similarity	NPC260979
0.966	High Similarity	NPC472912
0.966	High Similarity	NPC60972
0.966	High Similarity	NPC39732
0.966	High Similarity	NPC302950
0.9655	High Similarity	NPC272721
0.9655	High Similarity	NPC196277
0.9655	High Similarity	NPC43669
0.96	High Similarity	NPC55738
0.9597	High Similarity	NPC255106
0.9597	High Similarity	NPC235165
0.9597	High Similarity	NPC474638
0.9595	High Similarity	NPC167091
0.9595	High Similarity	NPC271779
0.9595	High Similarity	NPC292214
0.9595	High Similarity	NPC33051
0.9595	High Similarity	NPC88645
0.9595	High Similarity	NPC49402
0.9595	High Similarity	NPC273462
0.9595	High Similarity	NPC206238
0.9595	High Similarity	NPC472915
0.9595	High Similarity	NPC70433
0.9595	High Similarity	NPC18727
0.9595	High Similarity	NPC227337
0.9589	High Similarity	NPC287101
0.9589	High Similarity	NPC40290
0.9589	High Similarity	NPC264550
0.9589	High Similarity	NPC183950
0.9589	High Similarity	NPC195763
0.9589	High Similarity	NPC223579
0.9589	High Similarity	NPC264289
0.9589	High Similarity	NPC52005
0.9589	High Similarity	NPC137062
0.9589	High Similarity	NPC142876
0.9589	High Similarity	NPC105512
0.9589	High Similarity	NPC333691
0.9589	High Similarity	NPC69430
0.9589	High Similarity	NPC200060
0.9589	High Similarity	NPC139293
0.9586	High Similarity	NPC77378
0.9586	High Similarity	NPC168803
0.9533	High Similarity	NPC222814
0.9533	High Similarity	NPC472914
0.9533	High Similarity	NPC96167
0.9533	High Similarity	NPC474836
0.9533	High Similarity	NPC475267
0.9533	High Similarity	NPC162869
0.9533	High Similarity	NPC67876
0.9533	High Similarity	NPC245758
0.9533	High Similarity	NPC48208
0.9533	High Similarity	NPC291508
0.9533	High Similarity	NPC472913
0.9533	High Similarity	NPC474208
0.9533	High Similarity	NPC156057
0.9533	High Similarity	NPC52530
0.9533	High Similarity	NPC472910
0.9533	High Similarity	NPC472911
0.953	High Similarity	NPC256612
0.953	High Similarity	NPC213622
0.953	High Similarity	NPC31018
0.953	High Similarity	NPC255807
0.953	High Similarity	NPC256925
0.953	High Similarity	NPC20830
0.9527	High Similarity	NPC256283
0.9527	High Similarity	NPC161277
0.9527	High Similarity	NPC71334
0.9527	High Similarity	NPC293183
0.9527	High Similarity	NPC120163
0.9527	High Similarity	NPC101996
0.9527	High Similarity	NPC241498
0.9527	High Similarity	NPC188203
0.9527	High Similarity	NPC275836
0.9527	High Similarity	NPC275722
0.9527	High Similarity	NPC199100
0.9527	High Similarity	NPC180234
0.9527	High Similarity	NPC100887
0.9527	High Similarity	NPC131624
0.9527	High Similarity	NPC55205
0.9527	High Similarity	NPC239128
0.9527	High Similarity	NPC198826
0.9527	High Similarity	NPC187498
0.9527	High Similarity	NPC83508
0.9527	High Similarity	NPC212678
0.9527	High Similarity	NPC57030
0.9527	High Similarity	NPC301323
0.9527	High Similarity	NPC222830
0.9527	High Similarity	NPC120537
0.9527	High Similarity	NPC162313
0.9527	High Similarity	NPC25270
0.9527	High Similarity	NPC39007
0.9527	High Similarity	NPC156222
0.9521	High Similarity	NPC80710
0.9521	High Similarity	NPC203747
0.9521	High Similarity	NPC139364
0.9521	High Similarity	NPC254702
0.9521	High Similarity	NPC194653
0.9521	High Similarity	NPC3036
0.9521	High Similarity	NPC120464
0.9517	High Similarity	NPC209278
0.9514	High Similarity	NPC142165
0.9474	High Similarity	NPC308992
0.947	High Similarity	NPC204879
0.9467	High Similarity	NPC5322
0.9467	High Similarity	NPC195796
0.9467	High Similarity	NPC13858
0.9467	High Similarity	NPC291878
0.9467	High Similarity	NPC35038
0.9467	High Similarity	NPC472455
0.9467	High Similarity	NPC278778
0.9467	High Similarity	NPC133970
0.9467	High Similarity	NPC326037
0.9467	High Similarity	NPC6633
0.9467	High Similarity	NPC265511
0.9467	High Similarity	NPC320825
0.9463	High Similarity	NPC47781
0.9463	High Similarity	NPC22519
0.9463	High Similarity	NPC176775
0.9463	High Similarity	NPC160951
0.9463	High Similarity	NPC274327
0.9463	High Similarity	NPC141212
0.9463	High Similarity	NPC255350
0.9463	High Similarity	NPC145379
0.9463	High Similarity	NPC69394
0.9463	High Similarity	NPC183878
0.9463	High Similarity	NPC231018
0.9459	High Similarity	NPC54394
0.9459	High Similarity	NPC251110
0.9459	High Similarity	NPC200740
0.9459	High Similarity	NPC149614
0.9459	High Similarity	NPC125062
0.9459	High Similarity	NPC171010
0.9459	High Similarity	NPC252933
0.9459	High Similarity	NPC117579
0.9456	High Similarity	NPC1612
0.9456	High Similarity	NPC177298
0.9456	High Similarity	NPC48479
0.9456	High Similarity	NPC183959
0.9452	High Similarity	NPC188074
0.9452	High Similarity	NPC125449
0.9452	High Similarity	NPC12200
0.9452	High Similarity	NPC108406
0.9444	High Similarity	NPC254659
0.9408	High Similarity	NPC474960
0.9408	High Similarity	NPC263449
0.9404	High Similarity	NPC161960
0.9404	High Similarity	NPC472598
0.9404	High Similarity	NPC181960
0.9404	High Similarity	NPC52889
0.9404	High Similarity	NPC218313
0.9404	High Similarity	NPC474681
0.9404	High Similarity	NPC304008
0.9404	High Similarity	NPC27337
0.9404	High Similarity	NPC180011
0.9404	High Similarity	NPC36852
0.9404	High Similarity	NPC471479
0.9404	High Similarity	NPC78225
0.9404	High Similarity	NPC474055
0.9404	High Similarity	NPC471515
0.9404	High Similarity	NPC469584
0.9404	High Similarity	NPC219867
0.9404	High Similarity	NPC472963
0.9404	High Similarity	NPC187745
0.9404	High Similarity	NPC470402
0.9404	High Similarity	NPC262286
0.94	High Similarity	NPC138360
0.94	High Similarity	NPC196439
0.94	High Similarity	NPC50715
0.94	High Similarity	NPC92659
0.94	High Similarity	NPC4455
0.94	High Similarity	NPC37392
0.94	High Similarity	NPC44079
0.94	High Similarity	NPC470327
0.94	High Similarity	NPC234255
0.94	High Similarity	NPC472280
0.94	High Similarity	NPC280339
0.94	High Similarity	NPC2476
0.94	High Similarity	NPC167815
0.94	High Similarity	NPC45849
0.94	High Similarity	NPC200761
0.94	High Similarity	NPC201136
0.94	High Similarity	NPC163780
0.94	High Similarity	NPC26227

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC31363 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	313
0.1-0.2	897
0.2-0.3	1605
0.3-0.4	2587
0.4-0.5	1887
0.5-0.6	1110
0.6-0.7	541
0.7-0.8	154
0.8-0.85	34
0.85-0.9	24
0.9-0.95	8
0.95-1	1

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.966	High Similarity	NPD1934	Approved
0.9467	High Similarity	NPD3882	Suspended
0.9463	High Similarity	NPD2801	Approved
0.9333	High Similarity	NPD2393	Clinical (unspecified phase)
0.9247	High Similarity	NPD1511	Approved
0.9122	High Similarity	NPD1512	Approved
0.9045	High Similarity	NPD6168	Clinical (unspecified phase)
0.9045	High Similarity	NPD6167	Clinical (unspecified phase)
0.9045	High Similarity	NPD6166	Phase 2
0.8931	High Similarity	NPD3818	Discontinued
0.8904	High Similarity	NPD1549	Phase 2
0.8896	High Similarity	NPD3817	Phase 2
0.8875	High Similarity	NPD7054	Approved
0.8839	High Similarity	NPD4868	Clinical (unspecified phase)
0.8836	High Similarity	NPD1552	Clinical (unspecified phase)
0.8836	High Similarity	NPD1550	Clinical (unspecified phase)
0.882	High Similarity	NPD7074	Phase 3
0.882	High Similarity	NPD7472	Approved
0.8699	High Similarity	NPD1510	Phase 2
0.8671	High Similarity	NPD5494	Approved
0.8662	High Similarity	NPD7075	Discontinued
0.8659	High Similarity	NPD4338	Clinical (unspecified phase)
0.865	High Similarity	NPD6797	Phase 2
0.8636	High Similarity	NPD4380	Phase 2
0.8609	High Similarity	NPD6799	Approved
0.8598	High Similarity	NPD7251	Discontinued
0.859	High Similarity	NPD7096	Clinical (unspecified phase)
0.8553	High Similarity	NPD4378	Clinical (unspecified phase)
0.8552	High Similarity	NPD943	Approved
0.8552	High Similarity	NPD1240	Approved
0.8545	High Similarity	NPD7808	Phase 3
0.8544	High Similarity	NPD4381	Clinical (unspecified phase)
0.8514	High Similarity	NPD2796	Approved
0.8471	Intermediate Similarity	NPD1465	Phase 2
0.8471	Intermediate Similarity	NPD7819	Suspended
0.8435	Intermediate Similarity	NPD1607	Approved
0.8344	Intermediate Similarity	NPD7411	Suspended
0.8333	Intermediate Similarity	NPD6232	Discontinued
0.8313	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.8312	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8302	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.8293	Intermediate Similarity	NPD7473	Discontinued
0.8291	Intermediate Similarity	NPD6801	Discontinued
0.828	Intermediate Similarity	NPD6599	Discontinued
0.8243	Intermediate Similarity	NPD230	Phase 1
0.8193	Intermediate Similarity	NPD5844	Phase 1
0.8187	Intermediate Similarity	NPD5402	Approved
0.8176	Intermediate Similarity	NPD1613	Approved
0.8176	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.8171	Intermediate Similarity	NPD3926	Phase 2
0.816	Intermediate Similarity	NPD1247	Approved
0.8158	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.8151	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8148	Intermediate Similarity	NPD919	Approved
0.8146	Intermediate Similarity	NPD1551	Phase 2
0.8121	Intermediate Similarity	NPD447	Suspended
0.8089	Intermediate Similarity	NPD5403	Approved
0.8086	Intermediate Similarity	NPD3749	Approved
0.8084	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.8082	Intermediate Similarity	NPD9494	Approved
0.8082	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.8077	Intermediate Similarity	NPD5401	Approved
0.8052	Intermediate Similarity	NPD3750	Approved
0.8049	Intermediate Similarity	NPD6959	Discontinued
0.8047	Intermediate Similarity	NPD6559	Discontinued
0.8012	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.8	Intermediate Similarity	NPD1933	Approved
0.7975	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7961	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.7935	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7914	Intermediate Similarity	NPD7768	Phase 2
0.7871	Intermediate Similarity	NPD2800	Approved
0.7871	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7857	Intermediate Similarity	NPD2344	Approved
0.7852	Intermediate Similarity	NPD3027	Phase 3
0.7833	Intermediate Similarity	NPD7501	Clinical (unspecified phase)
0.7821	Intermediate Similarity	NPD4628	Phase 3
0.7811	Intermediate Similarity	NPD3751	Discontinued
0.7808	Intermediate Similarity	NPD4379	Clinical (unspecified phase)
0.7792	Intermediate Similarity	NPD2935	Discontinued
0.775	Intermediate Similarity	NPD920	Approved
0.7736	Intermediate Similarity	NPD2533	Approved
0.7736	Intermediate Similarity	NPD2532	Approved
0.7736	Intermediate Similarity	NPD2534	Approved
0.7727	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7727	Intermediate Similarity	NPD3748	Approved
0.7725	Intermediate Similarity	NPD7199	Phase 2
0.7703	Intermediate Similarity	NPD1203	Approved
0.7702	Intermediate Similarity	NPD1653	Approved
0.7677	Intermediate Similarity	NPD6099	Approved
0.7677	Intermediate Similarity	NPD6100	Approved
0.7674	Intermediate Similarity	NPD5953	Discontinued
0.7673	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7671	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7658	Intermediate Similarity	NPD2309	Approved
0.7658	Intermediate Similarity	NPD6190	Approved
0.7654	Intermediate Similarity	NPD3226	Approved
0.7643	Intermediate Similarity	NPD1243	Approved
0.7633	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7628	Intermediate Similarity	NPD2346	Discontinued
0.7627	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7613	Intermediate Similarity	NPD2799	Discontinued
0.761	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7605	Intermediate Similarity	NPD6234	Discontinued
0.7574	Intermediate Similarity	NPD3787	Discontinued
0.7566	Intermediate Similarity	NPD2313	Discontinued
0.7558	Intermediate Similarity	NPD7286	Phase 2
0.7557	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7551	Intermediate Similarity	NPD1610	Phase 2
0.755	Intermediate Similarity	NPD4908	Phase 1
0.755	Intermediate Similarity	NPD6832	Phase 2
0.7532	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7529	Intermediate Similarity	NPD7685	Pre-registration
0.7517	Intermediate Similarity	NPD1548	Phase 1
0.75	Intermediate Similarity	NPD9717	Approved
0.75	Intermediate Similarity	NPD9269	Phase 2
0.7486	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.7484	Intermediate Similarity	NPD6651	Approved
0.7451	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.7444	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7427	Intermediate Similarity	NPD5242	Approved
0.7425	Intermediate Similarity	NPD5353	Approved
0.741	Intermediate Similarity	NPD37	Approved
0.7399	Intermediate Similarity	NPD7228	Approved
0.7381	Intermediate Similarity	NPD4966	Approved
0.7381	Intermediate Similarity	NPD4965	Approved
0.7381	Intermediate Similarity	NPD4967	Phase 2
0.7349	Intermediate Similarity	NPD6385	Approved
0.7349	Intermediate Similarity	NPD6386	Approved
0.7346	Intermediate Similarity	NPD4357	Discontinued
0.7345	Intermediate Similarity	NPD8312	Approved
0.7345	Intermediate Similarity	NPD8313	Approved
0.7338	Intermediate Similarity	NPD411	Approved
0.7329	Intermediate Similarity	NPD5536	Phase 2
0.7315	Intermediate Similarity	NPD422	Phase 1
0.7305	Intermediate Similarity	NPD6844	Discontinued
0.7303	Intermediate Similarity	NPD2798	Approved
0.7301	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7283	Intermediate Similarity	NPD8090	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD9545	Approved
0.7278	Intermediate Similarity	NPD4308	Phase 3
0.7278	Intermediate Similarity	NPD7033	Discontinued
0.7267	Intermediate Similarity	NPD5710	Approved
0.7267	Intermediate Similarity	NPD5711	Approved
0.7267	Intermediate Similarity	NPD1608	Approved
0.7255	Intermediate Similarity	NPD3018	Phase 2
0.7239	Intermediate Similarity	NPD7390	Discontinued
0.7237	Intermediate Similarity	NPD1470	Approved
0.723	Intermediate Similarity	NPD9268	Approved
0.7226	Intermediate Similarity	NPD3268	Approved
0.7226	Intermediate Similarity	NPD6798	Discontinued
0.7222	Intermediate Similarity	NPD8434	Phase 2
0.7205	Intermediate Similarity	NPD2654	Approved
0.7195	Intermediate Similarity	NPD7422	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD7266	Discontinued
0.7176	Intermediate Similarity	NPD5019	Clinical (unspecified phase)
0.7174	Intermediate Similarity	NPD4363	Phase 3
0.7174	Intermediate Similarity	NPD4360	Phase 2
0.7172	Intermediate Similarity	NPD1241	Discontinued
0.7171	Intermediate Similarity	NPD3225	Approved
0.7166	Intermediate Similarity	NPD6777	Approved
0.7166	Intermediate Similarity	NPD6780	Approved
0.7166	Intermediate Similarity	NPD6782	Approved
0.7166	Intermediate Similarity	NPD6776	Approved
0.7166	Intermediate Similarity	NPD6779	Approved
0.7166	Intermediate Similarity	NPD6778	Approved
0.7166	Intermediate Similarity	NPD6781	Approved
0.7161	Intermediate Similarity	NPD4625	Phase 3
0.7153	Intermediate Similarity	NPD228	Approved
0.7143	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD4287	Approved
0.7143	Intermediate Similarity	NPD9493	Approved
0.7135	Intermediate Similarity	NPD8151	Discontinued
0.7127	Intermediate Similarity	NPD8150	Discontinued
0.7126	Intermediate Similarity	NPD7458	Discontinued
0.7126	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD2797	Approved
0.712	Intermediate Similarity	NPD7584	Approved
0.7118	Intermediate Similarity	NPD4288	Approved
0.7118	Intermediate Similarity	NPD2296	Approved
0.7117	Intermediate Similarity	NPD2354	Approved
0.7115	Intermediate Similarity	NPD3764	Approved
0.7105	Intermediate Similarity	NPD2983	Phase 2
0.7105	Intermediate Similarity	NPD2982	Phase 2
0.7105	Intermediate Similarity	NPD4749	Approved
0.7102	Intermediate Similarity	NPD2163	Approved
0.7099	Intermediate Similarity	NPD1652	Phase 2
0.7091	Intermediate Similarity	NPD4662	Approved
0.7091	Intermediate Similarity	NPD4661	Approved
0.7089	Intermediate Similarity	NPD6355	Discontinued
0.7086	Intermediate Similarity	NPD1201	Approved
0.7086	Intermediate Similarity	NPD7784	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD2403	Approved
0.7081	Intermediate Similarity	NPD1471	Phase 3
0.7078	Intermediate Similarity	NPD1019	Discontinued
0.707	Intermediate Similarity	NPD6233	Phase 2
0.7069	Intermediate Similarity	NPD7229	Phase 3

Structure

CID31363 OpenBabel06191715362D 22 24 0 0 0 0 0 0 0 0999 V2000 -5.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 -2.0000 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 -4.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 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 2.5981 -1.5000 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 -0.8660 -0.5000 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 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -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 2.5981 -0.5000 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 1.7321 0.0000 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 3.4641 0.0000 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 1.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 0.0000 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 21 1 0 0 0 0 2 4 1 0 0 0 0 2 10 2 0 0 0 0 3 5 2 0 0 0 0 3 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 15 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 22 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	6439175
ChEMBL	CHEMBL233805
ZINC

Physicochemical Properties

Molecular Weight:	298.08
ALogP:	-1.1065
MLogP:	2.78
XLogP:	2.482
# Rotatable Bonds:	5
Polar Surface Area:	75.99
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	22

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