NPASS Natural Product

Natural Product: NPC131198

Natural Product ID:	NPC131198
Common Name:	Farnesiferol B
IUPAC Name:	7-[(E)-5-[(3R)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]-3-methylpent-2-enoxy]chromen-2-one
Synonyms:	farnesiferol B
Molecular Formula:	C24H30O4
Standard InCHIKey:	XXKXCRGLMFAXTK-CLBZZUMNSA-N
Standard InCHI:	InChI=1S/C24H30O4/c1-16(5-10-20-17(2)6-11-22(25)24(20,3)4)13-14-27-19-9-7-18-8-12-23(26)28-21(18)15-19/h7-9,12-13,15,20,22,25H,2,5-6,10-11,14H2,1,3-4H3/b16-13+/t20?,22-/m1/s1
Canonical SMILES:	C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CCC1C(=C)CC[C@H](C1(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
NPO3083	Ferula assafoetida	Species	Apiaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	1
Others	2

Activity Type	# Activity
Cell Line	1
Organism	1
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	CC50	=	8.2	ug/ml	18247552
NPT4517	Organism	Human rhinovirus 2	Human rhinovirus 2	IC50	=	1	ug/ml	18247552
NPT2	Others	Unspecified		Ratio CC50/IC50	=	8.2		18247552

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 NPC131198 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	210
0.1-0.2	991
0.2-0.3	1889
0.3-0.4	4092
0.4-0.5	8218
0.5-0.6	3765
0.6-0.7	4533
0.7-0.8	6645
0.8-0.85	371
0.85-0.9	160
0.9-0.95	12
0.95-1	3

Similarity Score	Similarity Level	Natural Product ID
0.9774	High Similarity	NPC138149
0.9701	High Similarity	NPC93640
0.9701	High Similarity	NPC20631
0.9403	High Similarity	NPC306365
0.9338	High Similarity	NPC155552
0.922	High Similarity	NPC146388
0.9155	High Similarity	NPC146014
0.9118	High Similarity	NPC14697
0.9104	High Similarity	NPC31849
0.9084	High Similarity	NPC121740
0.9084	High Similarity	NPC224774
0.9084	High Similarity	NPC258567
0.9051	High Similarity	NPC307883
0.9023	High Similarity	NPC113098
0.9015	High Similarity	NPC469453
0.8955	High Similarity	NPC272650
0.8955	High Similarity	NPC29734
0.8955	High Similarity	NPC267336
0.8936	High Similarity	NPC108994
0.8936	High Similarity	NPC106126
0.8921	High Similarity	NPC287286
0.8913	High Similarity	NPC279573
0.8905	High Similarity	NPC38099
0.8905	High Similarity	NPC26954
0.8897	High Similarity	NPC213173
0.8897	High Similarity	NPC50896
0.8897	High Similarity	NPC224475
0.8897	High Similarity	NPC180716
0.8897	High Similarity	NPC326600
0.8897	High Similarity	NPC204353
0.8897	High Similarity	NPC62366
0.8889	High Similarity	NPC194277
0.8872	High Similarity	NPC185066
0.8864	High Similarity	NPC101894
0.8849	High Similarity	NPC312881
0.8841	High Similarity	NPC155963
0.8841	High Similarity	NPC153818
0.8841	High Similarity	NPC232246
0.8832	High Similarity	NPC472525
0.8824	High Similarity	NPC2363
0.8806	High Similarity	NPC168710
0.8803	High Similarity	NPC469701
0.8803	High Similarity	NPC101255
0.8803	High Similarity	NPC475719
0.8803	High Similarity	NPC43716
0.8788	High Similarity	NPC471828
0.8788	High Similarity	NPC471827
0.8786	High Similarity	NPC472523
0.8786	High Similarity	NPC152771
0.8786	High Similarity	NPC195357
0.8779	High Similarity	NPC315807
0.8777	High Similarity	NPC278600
0.8777	High Similarity	NPC35501
0.8777	High Similarity	NPC144512
0.8777	High Similarity	NPC137262
0.8777	High Similarity	NPC37428
0.8777	High Similarity	NPC211110
0.8777	High Similarity	NPC47040
0.8777	High Similarity	NPC151946
0.8768	High Similarity	NPC188380
0.8768	High Similarity	NPC224543
0.8768	High Similarity	NPC78746
0.8741	High Similarity	NPC32463
0.8732	High Similarity	NPC251372
0.8712	High Similarity	NPC27671
0.8712	High Similarity	NPC201667
0.8712	High Similarity	NPC73413
0.8705	High Similarity	NPC294456
0.8705	High Similarity	NPC212124
0.8705	High Similarity	NPC281014
0.8705	High Similarity	NPC225106
0.8705	High Similarity	NPC184861
0.8696	High Similarity	NPC471909
0.8696	High Similarity	NPC472424
0.8696	High Similarity	NPC281241
0.8696	High Similarity	NPC86892
0.8696	High Similarity	NPC471625
0.8692	High Similarity	NPC180006
0.8692	High Similarity	NPC235190
0.8692	High Similarity	NPC163200
0.8686	High Similarity	NPC185777
0.8686	High Similarity	NPC296624
0.8686	High Similarity	NPC207002
0.8686	High Similarity	NPC1220
0.8686	High Similarity	NPC167111
0.8686	High Similarity	NPC291551
0.8686	High Similarity	NPC241165
0.8686	High Similarity	NPC469449
0.8686	High Similarity	NPC205797
0.8686	High Similarity	NPC163557
0.8686	High Similarity	NPC141822
0.8686	High Similarity	NPC318400
0.8686	High Similarity	NPC133956
0.8686	High Similarity	NPC469965
0.8686	High Similarity	NPC142563
0.8686	High Similarity	NPC471910
0.8676	High Similarity	NPC250727
0.8676	High Similarity	NPC37009
0.8676	High Similarity	NPC66430
0.8671	High Similarity	NPC71739
0.8657	High Similarity	NPC243688
0.8657	High Similarity	NPC289316
0.8647	High Similarity	NPC168259
0.8636	High Similarity	NPC273772
0.8636	High Similarity	NPC472518
0.8636	High Similarity	NPC109675
0.8633	High Similarity	NPC128529
0.8633	High Similarity	NPC471630
0.8633	High Similarity	NPC283019
0.8633	High Similarity	NPC160727
0.8633	High Similarity	NPC55615
0.8633	High Similarity	NPC476455
0.8633	High Similarity	NPC177281
0.8633	High Similarity	NPC149320
0.8633	High Similarity	NPC283331
0.8623	High Similarity	NPC287182
0.8623	High Similarity	NPC319859
0.8623	High Similarity	NPC267412
0.8623	High Similarity	NPC18804
0.8623	High Similarity	NPC84894
0.8623	High Similarity	NPC260265
0.8623	High Similarity	NPC98179
0.8623	High Similarity	NPC74655
0.8623	High Similarity	NPC131950
0.8623	High Similarity	NPC166672
0.8623	High Similarity	NPC195343
0.8623	High Similarity	NPC253574
0.8623	High Similarity	NPC47163
0.8623	High Similarity	NPC198381
0.8623	High Similarity	NPC164269
0.8623	High Similarity	NPC100986
0.8623	High Similarity	NPC127888
0.8613	High Similarity	NPC14248
0.8613	High Similarity	NPC19157
0.8611	High Similarity	NPC471608
0.8603	High Similarity	NPC80170
0.8601	High Similarity	NPC471824
0.8593	High Similarity	NPC199204
0.8593	High Similarity	NPC472519
0.8582	High Similarity	NPC234109
0.8582	High Similarity	NPC188327
0.8582	High Similarity	NPC163248
0.8582	High Similarity	NPC471826
0.8571	High Similarity	NPC471068
0.8571	High Similarity	NPC471069
0.8571	High Similarity	NPC474886
0.8561	High Similarity	NPC96286
0.8561	High Similarity	NPC61499
0.8561	High Similarity	NPC248429
0.8561	High Similarity	NPC33986
0.8552	High Similarity	NPC15577
0.8552	High Similarity	NPC286038
0.8552	High Similarity	NPC476347
0.8551	High Similarity	NPC469955
0.8551	High Similarity	NPC7526
0.8551	High Similarity	NPC472524
0.8551	High Similarity	NPC83535
0.8551	High Similarity	NPC469952
0.8551	High Similarity	NPC222036
0.8542	High Similarity	NPC85624
0.8538	High Similarity	NPC298796
0.8538	High Similarity	NPC281356
0.8531	High Similarity	NPC138212
0.8531	High Similarity	NPC229916
0.8529	High Similarity	NPC474289
0.8521	High Similarity	NPC300611
0.8511	High Similarity	NPC471072
0.8511	High Similarity	NPC43500
0.8511	High Similarity	NPC164148
0.8511	High Similarity	NPC471070
0.8511	High Similarity	NPC471071
0.8507	High Similarity	NPC244495
0.8507	High Similarity	NPC93219
0.8503	High Similarity	NPC241636
0.8503	High Similarity	NPC477381
0.8493	Intermediate Similarity	NPC66991
0.8493	Intermediate Similarity	NPC187398
0.8493	Intermediate Similarity	NPC142863
0.8493	Intermediate Similarity	NPC476348
0.8489	Intermediate Similarity	NPC55149
0.8489	Intermediate Similarity	NPC307412
0.8485	Intermediate Similarity	NPC52247
0.8485	Intermediate Similarity	NPC187868
0.8483	Intermediate Similarity	NPC205361
0.8478	Intermediate Similarity	NPC469956
0.8472	Intermediate Similarity	NPC36732
0.8467	Intermediate Similarity	NPC19242
0.8462	Intermediate Similarity	NPC96705
0.8462	Intermediate Similarity	NPC265547
0.8462	Intermediate Similarity	NPC152306
0.8456	Intermediate Similarity	NPC219923
0.8456	Intermediate Similarity	NPC60704
0.8456	Intermediate Similarity	NPC293642
0.8456	Intermediate Similarity	NPC223720
0.8456	Intermediate Similarity	NPC139595
0.8456	Intermediate Similarity	NPC157212
0.8446	Intermediate Similarity	NPC477379
0.8444	Intermediate Similarity	NPC26879
0.8444	Intermediate Similarity	NPC50315
0.8444	Intermediate Similarity	NPC230479

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC131198 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	214
0.1-0.2	829
0.2-0.3	1433
0.3-0.4	2402
0.4-0.5	2158
0.5-0.6	1205
0.6-0.7	694
0.7-0.8	210
0.8-0.85	14
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8686	High Similarity	NPD5123	Clinical (unspecified phase)
0.8686	High Similarity	NPD5124	Phase 1
0.8485	Intermediate Similarity	NPD422	Phase 1
0.8321	Intermediate Similarity	NPD4908	Phase 1
0.8264	Intermediate Similarity	NPD1652	Phase 2
0.8214	Intermediate Similarity	NPD4140	Approved
0.8209	Intermediate Similarity	NPD1610	Phase 2
0.8207	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.8207	Intermediate Similarity	NPD3750	Approved
0.8201	Intermediate Similarity	NPD4907	Clinical (unspecified phase)
0.8201	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.8112	Intermediate Similarity	NPD3748	Approved
0.8102	Intermediate Similarity	NPD2797	Approved
0.8071	Intermediate Similarity	NPD6410	Clinical (unspecified phase)
0.8045	Intermediate Similarity	NPD1548	Phase 1
0.8039	Intermediate Similarity	NPD7819	Suspended
0.7959	Intermediate Similarity	NPD4628	Phase 3
0.7947	Intermediate Similarity	NPD1653	Approved
0.7943	Intermediate Similarity	NPD3268	Approved
0.7931	Intermediate Similarity	NPD2796	Approved
0.7914	Intermediate Similarity	NPD6917	Clinical (unspecified phase)
0.7867	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD6599	Discontinued
0.7832	Intermediate Similarity	NPD1612	Clinical (unspecified phase)
0.7832	Intermediate Similarity	NPD4060	Phase 1
0.7832	Intermediate Similarity	NPD1613	Approved
0.7826	Intermediate Similarity	NPD4749	Approved
0.7823	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7815	Intermediate Similarity	NPD6273	Approved
0.7808	Intermediate Similarity	NPD6100	Approved
0.7808	Intermediate Similarity	NPD6099	Approved
0.7806	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7801	Intermediate Similarity	NPD1008	Clinical (unspecified phase)
0.7778	Intermediate Similarity	NPD5844	Phase 1
0.777	Intermediate Similarity	NPD3225	Approved
0.7755	Intermediate Similarity	NPD5763	Approved
0.7755	Intermediate Similarity	NPD5762	Approved
0.7746	Intermediate Similarity	NPD4625	Phase 3
0.7742	Intermediate Similarity	NPD6801	Discontinued
0.774	Intermediate Similarity	NPD7033	Discontinued
0.7737	Intermediate Similarity	NPD3496	Discontinued
0.773	Intermediate Similarity	NPD2861	Phase 2
0.7727	Intermediate Similarity	NPD5535	Approved
0.7721	Intermediate Similarity	NPD5691	Approved
0.7714	Intermediate Similarity	NPD3266	Approved
0.7714	Intermediate Similarity	NPD3267	Approved
0.7707	Intermediate Similarity	NPD7768	Phase 2
0.7703	Intermediate Similarity	NPD1549	Phase 2
0.7697	Intermediate Similarity	NPD7314	Clinical (unspecified phase)
0.7692	Intermediate Similarity	NPD1296	Phase 2
0.7682	Intermediate Similarity	NPD6799	Approved
0.7677	Intermediate Similarity	NPD7411	Suspended
0.7664	Intermediate Similarity	NPD1778	Approved
0.7664	Intermediate Similarity	NPD4626	Approved
0.7658	Intermediate Similarity	NPD7075	Discontinued
0.7655	Intermediate Similarity	NPD6355	Discontinued
0.7651	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7647	Intermediate Similarity	NPD5403	Approved
0.7643	Intermediate Similarity	NPD8651	Approved
0.7635	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7635	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7632	Intermediate Similarity	NPD5401	Approved
0.7632	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7625	Intermediate Similarity	NPD7199	Phase 2
0.7625	Intermediate Similarity	NPD8127	Discontinued
0.7622	Intermediate Similarity	NPD7095	Approved
0.7622	Intermediate Similarity	NPD3027	Phase 3
0.7619	Intermediate Similarity	NPD1510	Phase 2
0.7595	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7569	Intermediate Similarity	NPD6798	Discontinued
0.7568	Intermediate Similarity	NPD1551	Phase 2
0.7564	Intermediate Similarity	NPD7615	Clinical (unspecified phase)
0.7556	Intermediate Similarity	NPD7157	Approved
0.7552	Intermediate Similarity	NPD1529	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7548	Intermediate Similarity	NPD8158	Clinical (unspecified phase)
0.7547	Intermediate Similarity	NPD4381	Clinical (unspecified phase)
0.7538	Intermediate Similarity	NPD3134	Approved
0.7534	Intermediate Similarity	NPD5735	Approved
0.7533	Intermediate Similarity	NPD5698	Clinical (unspecified phase)
0.7532	Intermediate Similarity	NPD5402	Approved
0.7532	Intermediate Similarity	NPD3817	Phase 2
0.7532	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7516	Intermediate Similarity	NPD37	Approved
0.75	Intermediate Similarity	NPD4308	Phase 3
0.75	Intermediate Similarity	NPD1608	Approved
0.75	Intermediate Similarity	NPD6666	Approved
0.75	Intermediate Similarity	NPD6667	Approved
0.75	Intermediate Similarity	NPD4380	Phase 2
0.75	Intermediate Similarity	NPD2799	Discontinued
0.7485	Intermediate Similarity	NPD7549	Discontinued
0.7484	Intermediate Similarity	NPD4965	Approved
0.7484	Intermediate Similarity	NPD4966	Approved
0.7484	Intermediate Similarity	NPD4967	Phase 2
0.7483	Intermediate Similarity	NPD1530	Clinical (unspecified phase)
0.7483	Intermediate Similarity	NPD3892	Phase 2
0.7483	Intermediate Similarity	NPD1878	Clinical (unspecified phase)
0.7469	Intermediate Similarity	NPD7229	Phase 3
0.7468	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7464	Intermediate Similarity	NPD5585	Approved
0.7462	Intermediate Similarity	NPD9697	Approved
0.7447	Intermediate Similarity	NPD5327	Phase 3
0.7438	Intermediate Similarity	NPD3749	Approved
0.7431	Intermediate Similarity	NPD6832	Phase 2
0.7423	Intermediate Similarity	NPD7184	Clinical (unspecified phase)
0.7421	Intermediate Similarity	NPD4288	Approved
0.7415	Intermediate Similarity	NPD4340	Discontinued
0.7405	Intermediate Similarity	NPD1934	Approved
0.7403	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD6005	Phase 3
0.74	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.74	Intermediate Similarity	NPD6002	Phase 3
0.74	Intermediate Similarity	NPD6004	Phase 3
0.74	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7397	Intermediate Similarity	NPD8032	Phase 2
0.7378	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7368	Intermediate Similarity	NPD4110	Phase 3
0.7368	Intermediate Similarity	NPD7003	Approved
0.7368	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.7348	Intermediate Similarity	NPD1358	Approved
0.7347	Intermediate Similarity	NPD1240	Approved
0.7347	Intermediate Similarity	NPD4307	Phase 2
0.7338	Intermediate Similarity	NPD7213	Phase 3
0.7338	Intermediate Similarity	NPD7212	Phase 2
0.7333	Intermediate Similarity	NPD2935	Discontinued
0.7315	Intermediate Similarity	NPD7097	Phase 1
0.7308	Intermediate Similarity	NPD920	Approved
0.7305	Intermediate Similarity	NPD1091	Approved
0.7305	Intermediate Similarity	NPD1611	Approved
0.7303	Intermediate Similarity	NPD1243	Approved
0.7293	Intermediate Similarity	NPD2684	Approved
0.729	Intermediate Similarity	NPD2534	Approved
0.729	Intermediate Similarity	NPD2533	Approved
0.729	Intermediate Similarity	NPD7447	Phase 1
0.729	Intermediate Similarity	NPD2532	Approved
0.7289	Intermediate Similarity	NPD3818	Discontinued
0.7286	Intermediate Similarity	NPD17	Approved
0.7284	Intermediate Similarity	NPD6234	Discontinued
0.7279	Intermediate Similarity	NPD6233	Phase 2
0.7273	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.7254	Intermediate Similarity	NPD9717	Approved
0.725	Intermediate Similarity	NPD2801	Approved
0.725	Intermediate Similarity	NPD1465	Phase 2
0.7248	Intermediate Similarity	NPD6353	Approved
0.7248	Intermediate Similarity	NPD1607	Approved
0.7244	Intermediate Similarity	NPD1940	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD5494	Approved
0.7237	Intermediate Similarity	NPD2424	Discontinued
0.723	Intermediate Similarity	NPD2238	Phase 2
0.7226	Intermediate Similarity	NPD1511	Approved
0.7226	Intermediate Similarity	NPD7837	Clinical (unspecified phase)
0.7222	Intermediate Similarity	NPD1203	Approved
0.7222	Intermediate Similarity	NPD6971	Discontinued
0.7219	Intermediate Similarity	NPD4477	Approved
0.7219	Intermediate Similarity	NPD4476	Approved
0.7219	Intermediate Similarity	NPD6559	Discontinued
0.7218	Intermediate Similarity	NPD290	Approved
0.7215	Intermediate Similarity	NPD3226	Approved
0.7211	Intermediate Similarity	NPD2313	Discontinued
0.7206	Intermediate Similarity	NPD7843	Approved
0.7203	Intermediate Similarity	NPD4359	Approved
0.7203	Intermediate Similarity	NPD3600	Clinical (unspecified phase)
0.7195	Intermediate Similarity	NPD6959	Discontinued
0.719	Intermediate Similarity	NPD6674	Discontinued
0.7181	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7172	Intermediate Similarity	NPD2798	Approved
0.7171	Intermediate Similarity	NPD7266	Discontinued
0.7171	Intermediate Similarity	NPD2346	Discontinued
0.7169	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7169	Intermediate Similarity	NPD6166	Phase 2
0.716	Intermediate Similarity	NPD3882	Suspended
0.716	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD1283	Approved
0.7152	Intermediate Similarity	NPD6232	Discontinued
0.7143	Intermediate Similarity	NPD7466	Approved
0.7143	Intermediate Similarity	NPD8455	Phase 2
0.7143	Intermediate Similarity	NPD7054	Approved
0.7143	Intermediate Similarity	NPD7804	Clinical (unspecified phase)
0.7143	Intermediate Similarity	NPD1894	Discontinued
0.7134	Intermediate Similarity	NPD1512	Approved
0.7133	Intermediate Similarity	NPD4097	Suspended
0.7133	Intermediate Similarity	NPD6653	Approved
0.7126	Intermediate Similarity	NPD7473	Discontinued
0.7124	Intermediate Similarity	NPD4534	Discontinued
0.7123	Intermediate Similarity	NPD3018	Phase 2
0.7123	Intermediate Similarity	NPD5736	Approved
0.7113	Intermediate Similarity	NPD3847	Discontinued
0.7107	Intermediate Similarity	NPD7458	Discontinued
0.7105	Intermediate Similarity	NPD6032	Approved
0.7103	Intermediate Similarity	NPD6362	Approved
0.7101	Intermediate Similarity	NPD7472	Approved
0.7101	Intermediate Similarity	NPD7074	Phase 3
0.7095	Intermediate Similarity	NPD3764	Approved
0.7095	Intermediate Similarity	NPD1699	Clinical (unspecified phase)
0.7089	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7086	Intermediate Similarity	NPD4536	Approved
0.7086	Intermediate Similarity	NPD4538	Approved
0.7086	Intermediate Similarity	NPD4537	Clinical (unspecified phase)

Structure

CID131198 OpenBabel06191715492D 28 30 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 -6.9282 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5622 -6.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1962 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -4.5000 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 1.7321 -1.0000 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 -5.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -5.5000 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 -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 -0.8660 -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 -6.9282 -4.0000 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 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0622 -4.5000 0.0000 C 0 0 3 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 -6.9282 -6.0000 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 -6.0622 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -7.0000 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 -1.7321 -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 16 1 0 0 0 0 2 17 2 0 0 0 0 3 24 1 0 0 0 0 4 24 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 27 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 27 1 0 0 0 0 20 24 1 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 6 0 0 0 23 26 2 0 0 0 0 23 28 1 0 0 0 0 M END $$$$

External Identifiers

PubChem CID	44457243
ChEMBL	CHEMBL272886
ZINC

Physicochemical Properties

Molecular Weight:	382.21
ALogP:	1.9186
MLogP:	3.66
XLogP:	4.923
# Rotatable Bonds:	10
Polar Surface Area:	55.76
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	3
# Heavy Atoms:	28

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