NPASS Natural Product

Natural Product: NPC32463

Natural Product ID:	NPC32463
Common Name:	5,7-Dihydroxy-8-(3-Methylbut-2-Enyl)-4-Phenylchromen-2-One
IUPAC Name:	5,7-dihydroxy-8-(3-methylbut-2-enyl)-4-phenylchromen-2-one
Synonyms:
Molecular Formula:	C20H18O4
Standard InCHIKey:	SRGRDIADLLPPQM-UHFFFAOYSA-N
Standard InCHI:	InChI=1S/C20H18O4/c1-12(2)8-9-14-16(21)11-17(22)19-15(10-18(23)24-20(14)19)13-6-4-3-5-7-13/h3-8,10-11,21-22H,9H2,1-2H3
Canonical SMILES:	CC(=CCc1c(O)cc(c2c1oc(=O)cc2c1ccccc1)O)C
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
NPO33501	marila pluricostata	Species	Calophyllaceae	Eukaryota	Leaves			PMID[15787438]

Biological Activity

Activity Type	# Activity
GI50	3
IC50	1
Others	3

Activity Type	# Activity
Cell Line	4
Individual Protein	1
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	GI50	=	3.4	ug/ml	17854154
NPT397	Cell Line	NCI-H460	Homo sapiens	GI50	=	4.4	ug/ml	26836364
NPT165	Cell Line	HeLa	Homo sapiens	Inhibition	=	15.4	%	21051535
NPT459	Individual Protein	Human immunodeficiency virus type 1 reverse transcriptase	Human immunodeficiency virus 1	IC50	=	11200	nM	21051535
NPT2	Others	Unspecified		Inhibition	=	33.4	%	21071520
NPT2	Others	Unspecified		Inhibition	=	84.5	%	21071520
NPT395	Cell Line	SF-268	Homo sapiens	GI50	=	4.8	ug/ml	18183025

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 NPC32463 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	215
0.1-0.2	1155
0.2-0.3	2480
0.3-0.4	6727
0.4-0.5	6582
0.5-0.6	2496
0.6-0.7	4736
0.7-0.8	5268
0.8-0.85	883
0.85-0.9	309
0.9-0.95	35
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9685	High Similarity	NPC131950
0.9597	High Similarity	NPC243688
0.9593	High Similarity	NPC168259
0.9435	High Similarity	NPC244495
0.9435	High Similarity	NPC93219
0.9274	High Similarity	NPC315807
0.9268	High Similarity	NPC52247
0.9268	High Similarity	NPC187868
0.9248	High Similarity	NPC183642
0.9248	High Similarity	NPC310370
0.9248	High Similarity	NPC170812
0.9213	High Similarity	NPC185066
0.92	High Similarity	NPC201667
0.92	High Similarity	NPC73413
0.9173	High Similarity	NPC71903
0.9154	High Similarity	NPC31849
0.912	High Similarity	NPC273772
0.912	High Similarity	NPC472518
0.912	High Similarity	NPC109675
0.9098	High Similarity	NPC137262
0.9098	High Similarity	NPC47040
0.9098	High Similarity	NPC35501
0.9098	High Similarity	NPC278600
0.9098	High Similarity	NPC37428
0.9098	High Similarity	NPC144512
0.9077	High Similarity	NPC194277
0.9048	High Similarity	NPC159132
0.9048	High Similarity	NPC27671
0.9048	High Similarity	NPC291899
0.9044	High Similarity	NPC471824
0.904	High Similarity	NPC248429
0.904	High Similarity	NPC96286
0.9032	High Similarity	NPC302107
0.9023	High Similarity	NPC474886
0.9008	High Similarity	NPC163557
0.9	High Similarity	NPC66430
0.9	High Similarity	NPC250727
0.9	High Similarity	NPC37009
0.8992	High Similarity	NPC474289
0.8984	High Similarity	NPC224774
0.8984	High Similarity	NPC258567
0.8984	High Similarity	NPC121740
0.8978	High Similarity	NPC71739
0.8978	High Similarity	NPC295696
0.8978	High Similarity	NPC101255
0.8978	High Similarity	NPC43716
0.8978	High Similarity	NPC475719
0.8976	High Similarity	NPC102540
0.8976	High Similarity	NPC471828
0.8976	High Similarity	NPC232692
0.8976	High Similarity	NPC188022
0.8976	High Similarity	NPC285040
0.8976	High Similarity	NPC471827
0.8976	High Similarity	NPC17809
0.8976	High Similarity	NPC202594
0.8976	High Similarity	NPC103420
0.8955	High Similarity	NPC279573
0.8952	High Similarity	NPC247553
0.8947	High Similarity	NPC38099
0.8947	High Similarity	NPC26954
0.8939	High Similarity	NPC50896
0.8939	High Similarity	NPC204353
0.8939	High Similarity	NPC326600
0.8931	High Similarity	NPC281558
0.8931	High Similarity	NPC307289
0.8931	High Similarity	NPC19157
0.8931	High Similarity	NPC469956
0.8915	High Similarity	NPC472519
0.8915	High Similarity	NPC469453
0.8915	High Similarity	NPC219923
0.8906	High Similarity	NPC276212
0.8906	High Similarity	NPC471826
0.8905	High Similarity	NPC36732
0.8905	High Similarity	NPC36181
0.8898	High Similarity	NPC106914
0.8898	High Similarity	NPC134195
0.8898	High Similarity	NPC197351
0.8898	High Similarity	NPC140521
0.8898	High Similarity	NPC111347
0.8898	High Similarity	NPC86502
0.8898	High Similarity	NPC246648
0.8889	High Similarity	NPC13007
0.8889	High Similarity	NPC257188
0.8864	High Similarity	NPC141822
0.8864	High Similarity	NPC469955
0.8864	High Similarity	NPC142563
0.8864	High Similarity	NPC185777
0.8864	High Similarity	NPC241165
0.8864	High Similarity	NPC205797
0.8864	High Similarity	NPC83535
0.8864	High Similarity	NPC1220
0.8864	High Similarity	NPC469952
0.8864	High Similarity	NPC291551
0.8849	High Similarity	NPC154217
0.8846	High Similarity	NPC134360
0.8846	High Similarity	NPC168710
0.8841	High Similarity	NPC196459
0.8841	High Similarity	NPC188632
0.8841	High Similarity	NPC470296
0.8841	High Similarity	NPC87609
0.8841	High Similarity	NPC94794
0.8841	High Similarity	NPC112791
0.8837	High Similarity	NPC149796
0.8828	High Similarity	NPC249836
0.8824	High Similarity	NPC195357
0.8824	High Similarity	NPC152771
0.8819	High Similarity	NPC50720
0.8819	High Similarity	NPC38761
0.8819	High Similarity	NPC173350
0.8819	High Similarity	NPC76465
0.8819	High Similarity	NPC290605
0.8819	High Similarity	NPC154176
0.8815	High Similarity	NPC211110
0.8815	High Similarity	NPC151946
0.881	High Similarity	NPC144418
0.8797	High Similarity	NPC180716
0.8797	High Similarity	NPC213173
0.8797	High Similarity	NPC224475
0.8797	High Similarity	NPC62366
0.879	High Similarity	NPC131118
0.879	High Similarity	NPC152306
0.879	High Similarity	NPC96705
0.8786	High Similarity	NPC142863
0.8779	High Similarity	NPC113098
0.8777	High Similarity	NPC178627
0.8777	High Similarity	NPC196137
0.8777	High Similarity	NPC469935
0.8777	High Similarity	NPC1886
0.8769	High Similarity	NPC38664
0.8769	High Similarity	NPC53986
0.8769	High Similarity	NPC274717
0.8769	High Similarity	NPC157212
0.875	High Similarity	NPC312881
0.875	High Similarity	NPC78446
0.8741	High Similarity	NPC212124
0.8741	High Similarity	NPC225106
0.8741	High Similarity	NPC281014
0.8741	High Similarity	NPC232246
0.8741	High Similarity	NPC153818
0.8741	High Similarity	NPC38874
0.8741	High Similarity	NPC155963
0.8741	High Similarity	NPC131198
0.8741	High Similarity	NPC184861
0.8741	High Similarity	NPC294456
0.874	High Similarity	NPC36016
0.874	High Similarity	NPC150214
0.874	High Similarity	NPC100099
0.8731	High Similarity	NPC472525
0.8731	High Similarity	NPC61499
0.873	High Similarity	NPC163200
0.873	High Similarity	NPC235190
0.873	High Similarity	NPC180006
0.8722	High Similarity	NPC469965
0.8722	High Similarity	NPC133956
0.8722	High Similarity	NPC296624
0.8722	High Similarity	NPC207002
0.8722	High Similarity	NPC167111
0.8722	High Similarity	NPC318400
0.8722	High Similarity	NPC471910
0.872	High Similarity	NPC298796
0.872	High Similarity	NPC295259
0.8714	High Similarity	NPC470322
0.8714	High Similarity	NPC57470
0.8714	High Similarity	NPC181388
0.8712	High Similarity	NPC211413
0.8712	High Similarity	NPC164804
0.8712	High Similarity	NPC293203
0.8712	High Similarity	NPC267336
0.8712	High Similarity	NPC244888
0.8712	High Similarity	NPC191395
0.8712	High Similarity	NPC118683
0.8712	High Similarity	NPC68205
0.8712	High Similarity	NPC29734
0.8712	High Similarity	NPC272650
0.8705	High Similarity	NPC106126
0.8705	High Similarity	NPC226722
0.8705	High Similarity	NPC108994
0.8705	High Similarity	NPC86069
0.8702	High Similarity	NPC93962
0.8696	High Similarity	NPC34245
0.8696	High Similarity	NPC256555
0.8696	High Similarity	NPC110067
0.8696	High Similarity	NPC91492
0.8696	High Similarity	NPC7439
0.8686	High Similarity	NPC301217
0.8686	High Similarity	NPC216978
0.8686	High Similarity	NPC287286
0.8686	High Similarity	NPC220062
0.8686	High Similarity	NPC155552
0.8686	High Similarity	NPC96565
0.8686	High Similarity	NPC55018
0.8686	High Similarity	NPC303633
0.8686	High Similarity	NPC138149
0.8676	High Similarity	NPC327612
0.8676	High Similarity	NPC332594
0.8676	High Similarity	NPC73078
0.8676	High Similarity	NPC148738
0.8676	High Similarity	NPC319870
0.8676	High Similarity	NPC221046
0.8672	High Similarity	NPC143725

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC32463 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	236
0.1-0.2	892
0.2-0.3	1338
0.3-0.4	2534
0.4-0.5	2051
0.5-0.6	1247
0.6-0.7	626
0.7-0.8	208
0.8-0.85	23
0.85-0.9	5
0.9-0.95	1
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.9268	High Similarity	NPD422	Phase 1
0.8864	High Similarity	NPD5123	Clinical (unspecified phase)
0.8864	High Similarity	NPD5124	Phase 1
0.864	High Similarity	NPD1548	Phase 1
0.8636	High Similarity	NPD4907	Clinical (unspecified phase)
0.8538	High Similarity	NPD2797	Approved
0.8496	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8489	Intermediate Similarity	NPD3750	Approved
0.8485	Intermediate Similarity	NPD4908	Phase 1
0.8462	Intermediate Similarity	NPD3225	Approved
0.838	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.8372	Intermediate Similarity	NPD1610	Phase 2
0.8358	Intermediate Similarity	NPD3268	Approved
0.8306	Intermediate Similarity	NPD5535	Approved
0.8284	Intermediate Similarity	NPD4625	Phase 3
0.8252	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.8209	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.8163	Intermediate Similarity	NPD7411	Suspended
0.8156	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.8156	Intermediate Similarity	NPD1652	Phase 2
0.8129	Intermediate Similarity	NPD3748	Approved
0.8099	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8088	Intermediate Similarity	NPD1296	Phase 2
0.8074	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.8067	Intermediate Similarity	NPD7768	Phase 2
0.8014	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.8014	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.8013	Intermediate Similarity	NPD7075	Discontinued
0.8	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7987	Intermediate Similarity	NPD6801	Discontinued
0.7985	Intermediate Similarity	NPD3267	Approved
0.7985	Intermediate Similarity	NPD3266	Approved
0.7971	Intermediate Similarity	NPD4060	Phase 1
0.797	Intermediate Similarity	NPD4749	Approved
0.7958	Intermediate Similarity	NPD1549	Phase 2
0.7933	Intermediate Similarity	NPD7819	Suspended
0.7933	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7919	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD4308	Phase 3
0.7872	Intermediate Similarity	NPD1510	Phase 2
0.7872	Intermediate Similarity	NPD7033	Discontinued
0.7852	Intermediate Similarity	NPD1203	Approved
0.7842	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7842	Intermediate Similarity	NPD1613	Approved
0.7842	Intermediate Similarity	NPD1240	Approved
0.7817	Intermediate Similarity	NPD2935	Discontinued
0.7817	Intermediate Similarity	NPD2796	Approved
0.7817	Intermediate Similarity	NPD1551	Phase 2
0.7815	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7808	Intermediate Similarity	NPD6799	Approved
0.7803	Intermediate Similarity	NPD4626	Approved
0.7786	Intermediate Similarity	NPD4340	Discontinued
0.7778	Intermediate Similarity	NPD1243	Approved
0.7763	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7746	Intermediate Similarity	NPD2799	Discontinued
0.7742	Intermediate Similarity	NPD9697	Approved
0.7733	Intermediate Similarity	NPD4380	Phase 2
0.773	Intermediate Similarity	NPD1607	Approved
0.7718	Intermediate Similarity	NPD1653	Approved
0.7708	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7707	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.7698	Intermediate Similarity	NPD2313	Discontinued
0.7698	Intermediate Similarity	NPD6798	Discontinued
0.7687	Intermediate Similarity	NPD7213	Phase 3
0.7687	Intermediate Similarity	NPD7212	Phase 2
0.7687	Intermediate Similarity	NPD1511	Approved
0.7662	Intermediate Similarity	NPD3749	Approved
0.7651	Intermediate Similarity	NPD5403	Approved
0.7642	Intermediate Similarity	NPD940	Approved
0.7642	Intermediate Similarity	NPD846	Approved
0.7635	Intermediate Similarity	NPD7447	Phase 1
0.763	Intermediate Similarity	NPD9717	Approved
0.7626	Intermediate Similarity	NPD3027	Phase 3
0.7619	Intermediate Similarity	NPD6666	Approved
0.7619	Intermediate Similarity	NPD6667	Approved
0.7616	Intermediate Similarity	NPD6599	Discontinued
0.7612	Intermediate Similarity	NPD3496	Discontinued
0.7609	Intermediate Similarity	NPD2861	Phase 2
0.7597	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7594	Intermediate Similarity	NPD5691	Approved
0.7589	Intermediate Similarity	NPD4307	Phase 2
0.7584	Intermediate Similarity	NPD1512	Approved
0.7582	Intermediate Similarity	NPD2801	Approved
0.7569	Intermediate Similarity	NPD6099	Approved
0.7569	Intermediate Similarity	NPD6100	Approved
0.7562	Intermediate Similarity	NPD5844	Phase 1
0.7556	Intermediate Similarity	NPD1611	Approved
0.7556	Intermediate Similarity	NPD1535	Discovery
0.7554	Intermediate Similarity	NPD6832	Phase 2
0.755	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7533	Intermediate Similarity	NPD920	Approved
0.7532	Intermediate Similarity	NPD4288	Approved
0.7532	Intermediate Similarity	NPD3817	Phase 2
0.7517	Intermediate Similarity	NPD5401	Approved
0.7516	Intermediate Similarity	NPD1934	Approved
0.75	Intermediate Similarity	NPD1608	Approved
0.75	Intermediate Similarity	NPD1481	Phase 2
0.75	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD7095	Approved
0.7483	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD4628	Phase 3
0.7481	Intermediate Similarity	NPD3847	Discontinued
0.7468	Intermediate Similarity	NPD6232	Discontinued
0.7453	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7445	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD3226	Approved
0.7424	Intermediate Similarity	NPD6671	Approved
0.7415	Intermediate Similarity	NPD2800	Approved
0.7413	Intermediate Similarity	NPD6355	Discontinued
0.7402	Intermediate Similarity	NPD3134	Approved
0.74	Intermediate Similarity	NPD2532	Approved
0.74	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD2534	Approved
0.74	Intermediate Similarity	NPD2533	Approved
0.7394	Intermediate Similarity	NPD6233	Phase 2
0.7391	Intermediate Similarity	NPD8651	Approved
0.7388	Intermediate Similarity	NPD1894	Discontinued
0.7362	Intermediate Similarity	NPD5953	Discontinued
0.7358	Intermediate Similarity	NPD7229	Phase 3
0.7355	Intermediate Similarity	NPD1465	Phase 2
0.7346	Intermediate Similarity	NPD7286	Phase 2
0.7344	Intermediate Similarity	NPD1358	Approved
0.7343	Intermediate Similarity	NPD4140	Approved
0.7329	Intermediate Similarity	NPD4476	Approved
0.7329	Intermediate Similarity	NPD7473	Discontinued
0.7329	Intermediate Similarity	NPD4477	Approved
0.7324	Intermediate Similarity	NPD3764	Approved
0.7319	Intermediate Similarity	NPD6583	Phase 3
0.7319	Intermediate Similarity	NPD6582	Phase 2
0.7317	Intermediate Similarity	NPD6559	Discontinued
0.731	Intermediate Similarity	NPD7097	Phase 1
0.7308	Intermediate Similarity	NPD5402	Approved
0.7299	Intermediate Similarity	NPD1091	Approved
0.7297	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7296	Intermediate Similarity	NPD6959	Discontinued
0.7287	Intermediate Similarity	NPD2684	Approved
0.7286	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7285	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD2346	Discontinued
0.7279	Intermediate Similarity	NPD17	Approved
0.7279	Intermediate Similarity	NPD1778	Approved
0.7279	Intermediate Similarity	NPD6004	Phase 3
0.7279	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7279	Intermediate Similarity	NPD6005	Phase 3
0.7279	Intermediate Similarity	NPD6002	Phase 3
0.7273	Intermediate Similarity	NPD7549	Discontinued
0.7273	Intermediate Similarity	NPD6502	Phase 2
0.7266	Intermediate Similarity	NPD968	Approved
0.7261	Intermediate Similarity	NPD3882	Suspended
0.7248	Intermediate Similarity	NPD7003	Approved
0.7241	Intermediate Similarity	NPD6651	Approved
0.7236	Intermediate Similarity	NPD2859	Approved
0.7236	Intermediate Similarity	NPD2860	Approved
0.7234	Intermediate Similarity	NPD3018	Phase 2
0.723	Intermediate Similarity	NPD2424	Discontinued
0.7219	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD6971	Discontinued
0.7208	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7197	Intermediate Similarity	NPD7843	Approved
0.7192	Intermediate Similarity	NPD4538	Approved
0.7192	Intermediate Similarity	NPD4536	Approved
0.7192	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD4978	Clinical (unspecified phase)
0.7188	Intermediate Similarity	NPD7199	Phase 2
0.7183	Intermediate Similarity	NPD2614	Approved
0.7179	Intermediate Similarity	NPD37	Approved
0.7178	Intermediate Similarity	NPD3818	Discontinued
0.717	Intermediate Similarity	NPD6234	Discontinued
0.717	Intermediate Similarity	NPD919	Approved
0.7169	Intermediate Similarity	NPD4419	Clinical (unspecified phase)
0.7163	Intermediate Similarity	NPD6584	Phase 3
0.7163	Intermediate Similarity	NPD2798	Approved
0.7162	Intermediate Similarity	NPD5763	Approved
0.7162	Intermediate Similarity	NPD5762	Approved
0.716	Intermediate Similarity	NPD6166	Phase 2
0.716	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7154	Intermediate Similarity	NPD2934	Approved
0.7154	Intermediate Similarity	NPD2933	Approved
0.7153	Intermediate Similarity	NPD4062	Phase 3
0.7152	Intermediate Similarity	NPD4965	Approved
0.7152	Intermediate Similarity	NPD4966	Approved
0.7152	Intermediate Similarity	NPD4967	Phase 2
0.7143	Intermediate Similarity	NPD1242	Phase 1
0.7143	Intermediate Similarity	NPD6696	Suspended
0.7143	Intermediate Similarity	NPD1283	Approved
0.7134	Intermediate Similarity	NPD7054	Approved
0.7134	Intermediate Similarity	NPD8455	Phase 2
0.7133	Intermediate Similarity	NPD5163	Phase 2
0.7132	Intermediate Similarity	NPD9545	Approved
0.7124	Intermediate Similarity	NPD5049	Phase 3
0.7124	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7105	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7099	Intermediate Similarity	NPD4750	Phase 3
0.7099	Intermediate Similarity	NPD5451	Approved
0.7095	Intermediate Similarity	NPD2862	Discontinued

Structure

NPC32463 OpenBabel07101718192D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.4641 0.0000 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 4.3301 -2.5000 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 4.3301 -1.5000 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 3.4641 -1.0000 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 -1.0000 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 -0.0000 -3.0000 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 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 1.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.5000 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 0.8660 -1.5000 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 -1.7321 -3.0000 0.0000 O 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 0.8660 1.5000 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 12 1 0 0 0 0 2 12 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 10 18 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 24 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	6483315
ChEMBL	CHEMBL363624
ZINC

Physicochemical Properties

Molecular Weight:	322.12
ALogP:	1.0312
MLogP:	3.22
XLogP:	5.269
# Rotatable Bonds:	7
Polar Surface Area:	66.76
# H-Bond Aceptor:	1
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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