NPASS Natural Product

Natural Product: NPC93640

Natural Product ID:	NPC93640
Common Name:	Feselol
IUPAC Name:	7-[[(1R,4aS,6R,8aR)-6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methoxy]chromen-2-one
Synonyms:	Feselol
Molecular Formula:	C24H30O4
Standard InCHIKey:	MCTDXPDDZLFJHR-XLRKYUMYSA-N
Standard InCHI:	InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h5-8,10,13,18,20-21,25H,9,11-12,14H2,1-4H3/t18-,20-,21-,24+/m1/s1
Canonical SMILES:	CC1=CC[C@H]2[C@@]([C@@H]1COc1ccc3c(c1)oc(=O)cc3)(C)CC[C@H](C2(C)C)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
NPO30619	Ferula gumosa	Species	Apiaceae	Eukaryota				PMID[20961138]
NPO30619	Ferula gumosa	Species	Apiaceae	Eukaryota	Root			PMID[20961138]

Biological Activity

Activity Type	# Activity
IC50	7

Activity Type	# Activity
Cell Line	6
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT387	Cell Line	M14	Homo sapiens	IC50	<	10000	nM	20961138
NPT83	Cell Line	MCF7	Homo sapiens	IC50	<	10000	nM	20961138
NPT1125	Cell Line	T98G	Homo sapiens	IC50	<	10000	nM	20961138
NPT81	Cell Line	A549	Homo sapiens	IC50	<	10000	nM	20961138
NPT2405	Cell Line	SAOS-2	Homo sapiens	IC50	<	10000	nM	20961138
NPT2	Others	Unspecified		IC50	<	10000	nM	20961138
NPT466	Cell Line	U-937	Homo sapiens	IC50	=	8000	nM	20961138

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 NPC93640 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	217
0.1-0.2	1026
0.2-0.3	1931
0.3-0.4	4014
0.4-0.5	7332
0.5-0.6	4683
0.6-0.7	4912
0.7-0.8	6325
0.8-0.85	312
0.85-0.9	126
0.9-0.95	8
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
1.0	High Similarity	NPC20631
0.9778	High Similarity	NPC138149
0.9701	High Similarity	NPC131198
0.9437	High Similarity	NPC146014
0.9412	High Similarity	NPC306365
0.9366	High Similarity	NPC146388
0.9209	High Similarity	NPC155552
0.9085	High Similarity	NPC475719
0.9085	High Similarity	NPC43716
0.9085	High Similarity	NPC101255
0.9014	High Similarity	NPC251372
0.8993	High Similarity	NPC14697
0.8978	High Similarity	NPC31849
0.8951	High Similarity	NPC108994
0.8951	High Similarity	NPC106126
0.8929	High Similarity	NPC307883
0.8819	High Similarity	NPC469701
0.8815	High Similarity	NPC224774
0.8815	High Similarity	NPC258567
0.8815	High Similarity	NPC121740
0.8803	High Similarity	NPC287286
0.8803	High Similarity	NPC472523
0.8794	High Similarity	NPC35501
0.8794	High Similarity	NPC37428
0.8794	High Similarity	NPC144512
0.8794	High Similarity	NPC279573
0.8794	High Similarity	NPC137262
0.8794	High Similarity	NPC47040
0.8794	High Similarity	NPC278600
0.8786	High Similarity	NPC26954
0.8786	High Similarity	NPC38099
0.8777	High Similarity	NPC62366
0.8777	High Similarity	NPC180716
0.8777	High Similarity	NPC326600
0.8777	High Similarity	NPC204353
0.8777	High Similarity	NPC50896
0.8777	High Similarity	NPC224475
0.8777	High Similarity	NPC213173
0.8768	High Similarity	NPC194277
0.8759	High Similarity	NPC113098
0.8759	High Similarity	NPC471608
0.875	High Similarity	NPC185066
0.875	High Similarity	NPC469453
0.8732	High Similarity	NPC312881
0.8725	High Similarity	NPC223720
0.8723	High Similarity	NPC232246
0.8723	High Similarity	NPC153818
0.8723	High Similarity	NPC155963
0.8714	High Similarity	NPC472525
0.8705	High Similarity	NPC142563
0.8705	High Similarity	NPC205797
0.8705	High Similarity	NPC141822
0.8705	High Similarity	NPC1220
0.8705	High Similarity	NPC291551
0.8705	High Similarity	NPC241165
0.8705	High Similarity	NPC469965
0.8696	High Similarity	NPC272650
0.8696	High Similarity	NPC29734
0.8696	High Similarity	NPC267336
0.8686	High Similarity	NPC168710
0.8671	High Similarity	NPC195357
0.8671	High Similarity	NPC152771
0.8667	High Similarity	NPC471828
0.8667	High Similarity	NPC268484
0.8667	High Similarity	NPC471827
0.8662	High Similarity	NPC211110
0.8662	High Similarity	NPC151946
0.8652	High Similarity	NPC224543
0.8652	High Similarity	NPC78746
0.8652	High Similarity	NPC188380
0.8643	High Similarity	NPC131950
0.8633	High Similarity	NPC19157
0.8623	High Similarity	NPC32463
0.8621	High Similarity	NPC36732
0.8603	High Similarity	NPC101894
0.8593	High Similarity	NPC27671
0.8593	High Similarity	NPC73413
0.8593	High Similarity	NPC201667
0.8592	High Similarity	NPC281014
0.8592	High Similarity	NPC184861
0.8592	High Similarity	NPC294456
0.8592	High Similarity	NPC225106
0.8592	High Similarity	NPC212124
0.8582	High Similarity	NPC471909
0.8582	High Similarity	NPC86892
0.8582	High Similarity	NPC281241
0.8582	High Similarity	NPC471625
0.8582	High Similarity	NPC472424
0.8571	High Similarity	NPC469955
0.8571	High Similarity	NPC167111
0.8571	High Similarity	NPC296624
0.8571	High Similarity	NPC471910
0.8571	High Similarity	NPC185777
0.8571	High Similarity	NPC207002
0.8571	High Similarity	NPC472524
0.8571	High Similarity	NPC469952
0.8571	High Similarity	NPC133956
0.8571	High Similarity	NPC2363
0.8571	High Similarity	NPC318400
0.8571	High Similarity	NPC163557
0.8562	High Similarity	NPC71739
0.8561	High Similarity	NPC66430
0.8561	High Similarity	NPC37009
0.854	High Similarity	NPC289316
0.854	High Similarity	NPC243688
0.8521	High Similarity	NPC149320
0.8521	High Similarity	NPC471630
0.8521	High Similarity	NPC128529
0.8521	High Similarity	NPC160727
0.8521	High Similarity	NPC283019
0.8521	High Similarity	NPC476455
0.8521	High Similarity	NPC177281
0.8521	High Similarity	NPC283331
0.8521	High Similarity	NPC55615
0.8519	High Similarity	NPC109675
0.8519	High Similarity	NPC273772
0.8519	High Similarity	NPC472518
0.8519	High Similarity	NPC315807
0.8514	High Similarity	NPC142863
0.8511	High Similarity	NPC195343
0.8511	High Similarity	NPC47163
0.8511	High Similarity	NPC267412
0.8511	High Similarity	NPC319859
0.8511	High Similarity	NPC84894
0.8511	High Similarity	NPC287182
0.8511	High Similarity	NPC18804
0.8511	High Similarity	NPC166672
0.8511	High Similarity	NPC127888
0.8511	High Similarity	NPC253574
0.8511	High Similarity	NPC260265
0.8511	High Similarity	NPC198381
0.8511	High Similarity	NPC98179
0.8511	High Similarity	NPC164269
0.8511	High Similarity	NPC74655
0.8511	High Similarity	NPC100986
0.85	High Similarity	NPC469956
0.85	High Similarity	NPC14248
0.8493	Intermediate Similarity	NPC471824
0.8489	Intermediate Similarity	NPC80170
0.8478	Intermediate Similarity	NPC139595
0.8478	Intermediate Similarity	NPC60704
0.8478	Intermediate Similarity	NPC293642
0.8478	Intermediate Similarity	NPC199204
0.8478	Intermediate Similarity	NPC472519
0.8467	Intermediate Similarity	NPC140133
0.8467	Intermediate Similarity	NPC163248
0.8467	Intermediate Similarity	NPC471826
0.8467	Intermediate Similarity	NPC188327
0.8467	Intermediate Similarity	NPC234109
0.8451	Intermediate Similarity	NPC61499
0.8451	Intermediate Similarity	NPC33986
0.8446	Intermediate Similarity	NPC471764
0.8446	Intermediate Similarity	NPC286038
0.8446	Intermediate Similarity	NPC15577
0.8446	Intermediate Similarity	NPC476347
0.8446	Intermediate Similarity	NPC87950
0.8444	Intermediate Similarity	NPC248429
0.8444	Intermediate Similarity	NPC96286
0.844	Intermediate Similarity	NPC222036
0.844	Intermediate Similarity	NPC469449
0.844	Intermediate Similarity	NPC7526
0.844	Intermediate Similarity	NPC83535
0.8435	Intermediate Similarity	NPC85624
0.8435	Intermediate Similarity	NPC86069
0.8433	Intermediate Similarity	NPC235190
0.8433	Intermediate Similarity	NPC180006
0.8433	Intermediate Similarity	NPC163200
0.8429	Intermediate Similarity	NPC250727
0.8425	Intermediate Similarity	NPC229916
0.8394	Intermediate Similarity	NPC244495
0.8394	Intermediate Similarity	NPC93219
0.8394	Intermediate Similarity	NPC168259
0.8389	Intermediate Similarity	NPC66991
0.8389	Intermediate Similarity	NPC476348
0.8389	Intermediate Similarity	NPC187398
0.838	Intermediate Similarity	NPC55149
0.838	Intermediate Similarity	NPC307412
0.838	Intermediate Similarity	NPC473107
0.8378	Intermediate Similarity	NPC475872
0.8357	Intermediate Similarity	NPC249425
0.8345	Intermediate Similarity	NPC157212
0.8345	Intermediate Similarity	NPC71903
0.8333	Intermediate Similarity	NPC471068
0.8333	Intermediate Similarity	NPC471069
0.8333	Intermediate Similarity	NPC474886
0.8323	Intermediate Similarity	NPC4950
0.8322	Intermediate Similarity	NPC296377
0.8322	Intermediate Similarity	NPC469675
0.8321	Intermediate Similarity	NPC291899
0.8321	Intermediate Similarity	NPC111347
0.8311	Intermediate Similarity	NPC226722
0.8311	Intermediate Similarity	NPC295696
0.8299	Intermediate Similarity	NPC138212
0.8298	Intermediate Similarity	NPC293203
0.8298	Intermediate Similarity	NPC68205
0.8298	Intermediate Similarity	NPC211413
0.8298	Intermediate Similarity	NPC164804
0.8298	Intermediate Similarity	NPC244888
0.8298	Intermediate Similarity	NPC118683
0.8289	Intermediate Similarity	NPC476452

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC93640 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	227
0.1-0.2	860
0.2-0.3	1443
0.3-0.4	2437
0.4-0.5	2116
0.5-0.6	1203
0.6-0.7	668
0.7-0.8	195
0.8-0.85	10
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8705	High Similarity	NPD5123	Clinical (unspecified phase)
0.8705	High Similarity	NPD5124	Phase 1
0.8356	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8239	Intermediate Similarity	NPD4140	Approved
0.8235	Intermediate Similarity	NPD422	Phase 1
0.8231	Intermediate Similarity	NPD3750	Approved
0.8227	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8227	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8214	Intermediate Similarity	NPD4908	Phase 1
0.8138	Intermediate Similarity	NPD3748	Approved
0.8071	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.8041	Intermediate Similarity	NPD1652	Phase 2
0.7972	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.7971	Intermediate Similarity	NPD1610	Phase 2
0.7961	Intermediate Similarity	NPD6273	Approved
0.7949	Intermediate Similarity	NPD7819	Suspended
0.7914	Intermediate Similarity	NPD5844	Phase 1
0.7895	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD2797	Approved
0.7867	Intermediate Similarity	NPD4628	Phase 3
0.7857	Intermediate Similarity	NPD4749	Approved
0.781	Intermediate Similarity	NPD1548	Phase 1
0.7785	Intermediate Similarity	NPD5763	Approved
0.7785	Intermediate Similarity	NPD5762	Approved
0.7778	Intermediate Similarity	NPD4625	Phase 3
0.7764	Intermediate Similarity	NPD8127	Discontinued
0.7756	Intermediate Similarity	NPD6599	Discontinued
0.7754	Intermediate Similarity	NPD5691	Approved
0.7742	Intermediate Similarity	NPD1653	Approved
0.774	Intermediate Similarity	NPD4060	Phase 1
0.7736	Intermediate Similarity	NPD7768	Phase 2
0.7724	Intermediate Similarity	NPD3268	Approved
0.7722	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7718	Intermediate Similarity	NPD2796	Approved
0.7718	Intermediate Similarity	NPD6099	Approved
0.7718	Intermediate Similarity	NPD6100	Approved
0.7707	Intermediate Similarity	NPD7411	Suspended
0.7698	Intermediate Similarity	NPD4626	Approved
0.7692	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7676	Intermediate Similarity	NPD8651	Approved
0.7676	Intermediate Similarity	NPD3225	Approved
0.7658	Intermediate Similarity	NPD6801	Discontinued
0.7619	Intermediate Similarity	NPD1613	Approved
0.7619	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7616	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7586	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD7075	Discontinued
0.7571	Intermediate Similarity	NPD1778	Approved
0.7568	Intermediate Similarity	NPD5735	Approved
0.7566	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7566	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7564	Intermediate Similarity	NPD5403	Approved
0.7562	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD5401	Approved
0.7547	Intermediate Similarity	NPD37	Approved
0.7533	Intermediate Similarity	NPD7033	Discontinued
0.7532	Intermediate Similarity	NPD4380	Phase 2
0.7518	Intermediate Similarity	NPD3496	Discontinued
0.7517	Intermediate Similarity	NPD2861	Phase 2
0.7516	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD4967	Phase 2
0.7516	Intermediate Similarity	NPD7003	Approved
0.7516	Intermediate Similarity	NPD4966	Approved
0.7516	Intermediate Similarity	NPD4965	Approved
0.75	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD3267	Approved
0.75	Intermediate Similarity	NPD1549	Phase 2
0.75	Intermediate Similarity	NPD5535	Approved
0.75	Intermediate Similarity	NPD3266	Approved
0.7484	Intermediate Similarity	NPD6799	Approved
0.7484	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD1296	Phase 2
0.7483	Intermediate Similarity	NPD1551	Phase 2
0.7483	Intermediate Similarity	NPD5327	Phase 3
0.7469	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7468	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7453	Intermediate Similarity	NPD4288	Approved
0.7453	Intermediate Similarity	NPD5402	Approved
0.745	Intermediate Similarity	NPD6355	Discontinued
0.7439	Intermediate Similarity	NPD7199	Phase 2
0.7436	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7434	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7432	Intermediate Similarity	NPD8032	Phase 2
0.7419	Intermediate Similarity	NPD6667	Approved
0.7419	Intermediate Similarity	NPD6666	Approved
0.7417	Intermediate Similarity	NPD1510	Phase 2
0.7417	Intermediate Similarity	NPD4308	Phase 3
0.7417	Intermediate Similarity	NPD2799	Discontinued
0.7415	Intermediate Similarity	NPD3027	Phase 3
0.7415	Intermediate Similarity	NPD7095	Approved
0.7412	Intermediate Similarity	NPD7549	Discontinued
0.741	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD7229	Phase 3
0.7391	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7365	Intermediate Similarity	NPD6798	Discontinued
0.7362	Intermediate Similarity	NPD3749	Approved
0.7351	Intermediate Similarity	NPD7097	Phase 1
0.7347	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7346	Intermediate Similarity	NPD3817	Phase 2
0.7343	Intermediate Similarity	NPD1611	Approved
0.7338	Intermediate Similarity	NPD6674	Discontinued
0.7338	Intermediate Similarity	NPD7157	Approved
0.7333	Intermediate Similarity	NPD6959	Discontinued
0.7325	Intermediate Similarity	NPD2533	Approved
0.7325	Intermediate Similarity	NPD2532	Approved
0.7325	Intermediate Similarity	NPD2534	Approved
0.732	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.732	Intermediate Similarity	NPD6005	Phase 3
0.732	Intermediate Similarity	NPD6004	Phase 3
0.732	Intermediate Similarity	NPD6002	Phase 3
0.7317	Intermediate Similarity	NPD6234	Discontinued
0.7313	Intermediate Similarity	NPD3134	Approved
0.7292	Intermediate Similarity	NPD1608	Approved
0.729	Intermediate Similarity	NPD3892	Phase 2
0.729	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.729	Intermediate Similarity	NPD8166	Discontinued
0.729	Intermediate Similarity	NPD4110	Phase 3
0.7285	Intermediate Similarity	NPD6353	Approved
0.7279	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7273	Intermediate Similarity	NPD5494	Approved
0.7267	Intermediate Similarity	NPD4307	Phase 2
0.7261	Intermediate Similarity	NPD7213	Phase 3
0.7261	Intermediate Similarity	NPD7212	Phase 2
0.7261	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2935	Discontinued
0.7254	Intermediate Similarity	NPD5585	Approved
0.7251	Intermediate Similarity	NPD6559	Discontinued
0.725	Intermediate Similarity	NPD7458	Discontinued
0.725	Intermediate Similarity	NPD3226	Approved
0.7246	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD9697	Approved
0.7233	Intermediate Similarity	NPD920	Approved
0.723	Intermediate Similarity	NPD6832	Phase 2
0.7226	Intermediate Similarity	NPD1243	Approved
0.7222	Intermediate Similarity	NPD1934	Approved
0.7219	Intermediate Similarity	NPD7228	Approved
0.7219	Intermediate Similarity	NPD4340	Discontinued
0.7215	Intermediate Similarity	NPD7446	Clinical (unspecified phase)
0.7215	Intermediate Similarity	NPD7447	Phase 1
0.7208	Intermediate Similarity	NPD2346	Discontinued
0.7202	Intermediate Similarity	NPD4481	Phase 3
0.7197	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7192	Intermediate Similarity	NPD1283	Approved
0.7186	Intermediate Similarity	NPD6232	Discontinued
0.7178	Intermediate Similarity	NPD1465	Phase 2
0.7178	Intermediate Similarity	NPD8455	Phase 2
0.7176	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7171	Intermediate Similarity	NPD1607	Approved
0.7171	Intermediate Similarity	NPD4097	Suspended
0.7162	Intermediate Similarity	NPD5736	Approved
0.7161	Intermediate Similarity	NPD2424	Discontinued
0.716	Intermediate Similarity	NPD7473	Discontinued
0.7152	Intermediate Similarity	NPD1240	Approved
0.7143	Intermediate Similarity	NPD4476	Approved
0.7143	Intermediate Similarity	NPD4477	Approved
0.7143	Intermediate Similarity	NPD8434	Phase 2
0.7133	Intermediate Similarity	NPD2313	Discontinued
0.7133	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7132	Intermediate Similarity	NPD1358	Approved
0.7123	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7118	Intermediate Similarity	NPD3818	Discontinued
0.7115	Intermediate Similarity	NPD2800	Approved
0.7107	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7103	Intermediate Similarity	NPD1091	Approved
0.7101	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7101	Intermediate Similarity	NPD6166	Phase 2
0.7097	Intermediate Similarity	NPD7266	Discontinued
0.7095	Intermediate Similarity	NPD4624	Approved
0.7093	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD6233	Phase 2
0.7083	Intermediate Similarity	NPD17	Approved
0.708	Intermediate Similarity	NPD2684	Approved
0.7076	Intermediate Similarity	NPD7054	Approved
0.7075	Intermediate Similarity	NPD6696	Suspended
0.7073	Intermediate Similarity	NPD2801	Approved
0.707	Intermediate Similarity	NPD7466	Approved
0.7063	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7055	Intermediate Similarity	NPD9717	Approved
0.7052	Intermediate Similarity	NPD7240	Approved
0.7048	Intermediate Similarity	NPD6971	Discontinued
0.7044	Intermediate Similarity	NPD1511	Approved
0.7039	Intermediate Similarity	NPD2238	Phase 2
0.7039	Intermediate Similarity	NPD3620	Phase 2
0.7039	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD2979	Phase 3
0.7035	Intermediate Similarity	NPD7472	Approved
0.7035	Intermediate Similarity	NPD7074	Phase 3
0.7032	Intermediate Similarity	NPD2438	Suspended
0.7029	Intermediate Similarity	NPD4750	Phase 3
0.7027	Intermediate Similarity	NPD1203	Approved
0.7018	Intermediate Similarity	NPD3751	Discontinued
0.7013	Intermediate Similarity	NPD4536	Approved
0.7013	Intermediate Similarity	NPD4538	Approved
0.7013	Intermediate Similarity	NPD4537	Clinical (unspecified phase)
0.7011	Intermediate Similarity	NPD4338	Clinical (unspecified phase)

Structure

CID93640 OpenBabel06191715432D 28 31 0 0 1 0 0 0 0 0999 V2000 4.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2942 0.3660 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 6.0622 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 0.0000 -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 6.9282 1.0000 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 6.9282 -2.0000 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 1.7321 0.0000 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 5.1962 1.0000 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 2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0000 0.0000 C 0 0 2 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 6.9282 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7942 -1.5000 0.0000 C 0 0 2 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 7.7942 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6603 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 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 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 3 23 1 0 0 0 0 5 9 1 0 0 0 0 5 15 2 0 0 0 0 6 8 2 0 0 0 0 6 16 1 0 0 0 0 7 10 2 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 27 1 0 0 0 0 18 24 1 6 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 6 0 0 0 21 23 1 0 0 0 0 21 25 1 6 0 0 0 22 26 2 0 0 0 0 22 28 1 0 0 0 0 24 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	179577
ChEMBL	CHEMBL1651079
ZINC

Physicochemical Properties

Molecular Weight:	382.21
ALogP:	1.389
MLogP:	3.66
XLogP:	5.065
# Rotatable Bonds:	8
Polar Surface Area:	55.76
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	28

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