NPASS Natural Product

Natural Product: NPC202260

Natural Product ID:	NPC202260
Common Name:	(+)-Vouacapenic Acid
IUPAC Name:	(4S,4aR,6aS,7R,11aS,11bR)-4,7,11b-trimethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-4-carboxylic acid
Synonyms:
Molecular Formula:	C20H28O3
Standard InCHIKey:	CGLTYYYFMFIPDN-FGPOBWDPSA-N
Standard InCHI:	InChI=1S/C20H28O3/c1-12-13-5-6-17-19(2,8-4-9-20(17,3)18(21)22)15(13)11-16-14(12)7-10-23-16/h7,10,12-13,15,17H,4-6,8-9,11H2,1-3H3,(H,21,22)/t12-,13+,15+,17-,19-,20+/m1/s1
Canonical SMILES:	OC(=O)[C@@]1(C)CCC[C@]2([C@H]1CC[C@@H]1[C@@H]2Cc2c([C@@H]1C)cco2)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
NPO21362	Harrisonia perforata	Species	Rutaceae	Eukaryota				PMID[23688954]
NPO19798	Andira aubletii	Species	Fabaceae	Eukaryota				TCMID*

Biological Activity

Activity Type	# Activity
IC50	1

Activity Type	# Activity
Others	1

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT2	Others	Unspecified		IC50	=	131810	nM	23688954

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 NPC202260 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	185
0.1-0.2	1101
0.2-0.3	1636
0.3-0.4	3454
0.4-0.5	7500
0.5-0.6	6012
0.6-0.7	7584
0.7-0.8	3130
0.8-0.85	202
0.85-0.9	74
0.9-0.95	10
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9697	High Similarity	NPC307401
0.9343	High Similarity	NPC263337
0.9225	High Similarity	NPC228842
0.9225	High Similarity	NPC212257
0.9097	High Similarity	NPC294511
0.9097	High Similarity	NPC121615
0.9091	High Similarity	NPC59502
0.9014	High Similarity	NPC71821
0.9008	High Similarity	NPC46536
0.9008	High Similarity	NPC138139
0.9007	High Similarity	NPC290038
0.8963	High Similarity	NPC293253
0.8951	High Similarity	NPC93666
0.8944	High Similarity	NPC233763
0.8921	High Similarity	NPC148374
0.8912	High Similarity	NPC41880
0.8912	High Similarity	NPC104736
0.8904	High Similarity	NPC44606
0.8872	High Similarity	NPC112706
0.8872	High Similarity	NPC207294
0.8855	High Similarity	NPC178382
0.8855	High Similarity	NPC130275
0.8851	High Similarity	NPC304692
0.8851	High Similarity	NPC88007
0.8851	High Similarity	NPC195954
0.8851	High Similarity	NPC7059
0.8851	High Similarity	NPC194499
0.8815	High Similarity	NPC61788
0.8797	High Similarity	NPC83178
0.8792	High Similarity	NPC474611
0.8779	High Similarity	NPC16922
0.8759	High Similarity	NPC95526
0.875	High Similarity	NPC216755
0.875	High Similarity	NPC473982
0.8741	High Similarity	NPC56731
0.8733	High Similarity	NPC287559
0.8733	High Similarity	NPC8389
0.8731	High Similarity	NPC329707
0.8725	High Similarity	NPC81405
0.8722	High Similarity	NPC74612
0.8707	High Similarity	NPC246164
0.8705	High Similarity	NPC170604
0.8705	High Similarity	NPC215109
0.8699	High Similarity	NPC472298
0.8696	High Similarity	NPC476947
0.8686	High Similarity	NPC218838
0.8676	High Similarity	NPC89133
0.8675	High Similarity	NPC79571
0.8675	High Similarity	NPC68848
0.8675	High Similarity	NPC18986
0.8667	High Similarity	NPC198904
0.8667	High Similarity	NPC140952
0.8662	High Similarity	NPC121158
0.8657	High Similarity	NPC290955
0.8657	High Similarity	NPC246392
0.8652	High Similarity	NPC56197
0.8647	High Similarity	NPC179354
0.8647	High Similarity	NPC290193
0.8633	High Similarity	NPC46896
0.863	High Similarity	NPC211625
0.8626	High Similarity	NPC97566
0.8621	High Similarity	NPC471174
0.8618	High Similarity	NPC285567
0.8618	High Similarity	NPC283209
0.8609	High Similarity	NPC472299
0.8593	High Similarity	NPC26532
0.8593	High Similarity	NPC279877
0.8591	High Similarity	NPC25351
0.8582	High Similarity	NPC23086
0.8571	High Similarity	NPC118853
0.8561	High Similarity	NPC36255
0.8553	High Similarity	NPC188649
0.8543	High Similarity	NPC123153
0.8542	High Similarity	NPC251865
0.8542	High Similarity	NPC476944
0.854	High Similarity	NPC298190
0.8529	High Similarity	NPC120836
0.8529	High Similarity	NPC208389
0.8529	High Similarity	NPC223063
0.8507	High Similarity	NPC471074
0.8507	High Similarity	NPC473885
0.8507	High Similarity	NPC300098
0.8506	High Similarity	NPC121995
0.8506	High Similarity	NPC277618
0.8503	High Similarity	NPC234494
0.8497	Intermediate Similarity	NPC88841
0.8497	Intermediate Similarity	NPC288602
0.8496	Intermediate Similarity	NPC272899
0.8467	Intermediate Similarity	NPC476925
0.8456	Intermediate Similarity	NPC327527
0.8456	Intermediate Similarity	NPC476917
0.8451	Intermediate Similarity	NPC474722
0.8446	Intermediate Similarity	NPC470997
0.8442	Intermediate Similarity	NPC56358
0.8433	Intermediate Similarity	NPC243269
0.8433	Intermediate Similarity	NPC83115
0.8429	Intermediate Similarity	NPC158525
0.8425	Intermediate Similarity	NPC478166
0.8425	Intermediate Similarity	NPC62799
0.8421	Intermediate Similarity	NPC472823
0.8421	Intermediate Similarity	NPC84349
0.8414	Intermediate Similarity	NPC238843
0.8414	Intermediate Similarity	NPC199044
0.8403	Intermediate Similarity	NPC52412
0.84	Intermediate Similarity	NPC114880
0.8397	Intermediate Similarity	NPC296558
0.8392	Intermediate Similarity	NPC67003
0.8389	Intermediate Similarity	NPC272590
0.8389	Intermediate Similarity	NPC144010
0.838	Intermediate Similarity	NPC476943
0.837	Intermediate Similarity	NPC303010
0.837	Intermediate Similarity	NPC230979
0.8367	Intermediate Similarity	NPC286038
0.8367	Intermediate Similarity	NPC224418
0.8367	Intermediate Similarity	NPC255414
0.8356	Intermediate Similarity	NPC114513
0.8356	Intermediate Similarity	NPC185456
0.8356	Intermediate Similarity	NPC245522
0.8345	Intermediate Similarity	NPC267632
0.8345	Intermediate Similarity	NPC243577
0.8345	Intermediate Similarity	NPC470273
0.8344	Intermediate Similarity	NPC179170
0.8344	Intermediate Similarity	NPC88958
0.8344	Intermediate Similarity	NPC75310
0.8333	Intermediate Similarity	NPC472672
0.8333	Intermediate Similarity	NPC41689
0.8333	Intermediate Similarity	NPC145830
0.8333	Intermediate Similarity	NPC270312
0.8333	Intermediate Similarity	NPC33938
0.8333	Intermediate Similarity	NPC310572
0.8323	Intermediate Similarity	NPC472664
0.8322	Intermediate Similarity	NPC90953
0.8322	Intermediate Similarity	NPC233707
0.8321	Intermediate Similarity	NPC477040
0.8321	Intermediate Similarity	NPC212918
0.8312	Intermediate Similarity	NPC471003
0.8311	Intermediate Similarity	NPC66991
0.8311	Intermediate Similarity	NPC19747
0.831	Intermediate Similarity	NPC42400
0.8299	Intermediate Similarity	NPC471292
0.8299	Intermediate Similarity	NPC346
0.8298	Intermediate Similarity	NPC209858
0.8298	Intermediate Similarity	NPC324117
0.8288	Intermediate Similarity	NPC84479
0.8288	Intermediate Similarity	NPC158871
0.8286	Intermediate Similarity	NPC470740
0.8284	Intermediate Similarity	NPC477967
0.8278	Intermediate Similarity	NPC98206
0.8278	Intermediate Similarity	NPC34421
0.8278	Intermediate Similarity	NPC237259
0.8278	Intermediate Similarity	NPC302054
0.8278	Intermediate Similarity	NPC10429
0.8278	Intermediate Similarity	NPC30222
0.8278	Intermediate Similarity	NPC253201
0.8278	Intermediate Similarity	NPC178932
0.8269	Intermediate Similarity	NPC475779
0.8269	Intermediate Similarity	NPC308156
0.8264	Intermediate Similarity	NPC201370
0.8264	Intermediate Similarity	NPC473983
0.8258	Intermediate Similarity	NPC475039
0.8258	Intermediate Similarity	NPC187547
0.8258	Intermediate Similarity	NPC243704
0.8258	Intermediate Similarity	NPC14499
0.8258	Intermediate Similarity	NPC21831
0.8258	Intermediate Similarity	NPC476035
0.8258	Intermediate Similarity	NPC87466
0.8255	Intermediate Similarity	NPC69647
0.8255	Intermediate Similarity	NPC472654
0.8255	Intermediate Similarity	NPC195325
0.8255	Intermediate Similarity	NPC125182
0.8252	Intermediate Similarity	NPC236532
0.8252	Intermediate Similarity	NPC472376
0.8244	Intermediate Similarity	NPC59035
0.8244	Intermediate Similarity	NPC79202
0.8243	Intermediate Similarity	NPC302987
0.8243	Intermediate Similarity	NPC281398
0.8239	Intermediate Similarity	NPC146872
0.8239	Intermediate Similarity	NPC214572
0.8231	Intermediate Similarity	NPC247221
0.8228	Intermediate Similarity	NPC118086
0.8228	Intermediate Similarity	NPC472660
0.8224	Intermediate Similarity	NPC92979
0.8224	Intermediate Similarity	NPC296807
0.8224	Intermediate Similarity	NPC141538
0.8224	Intermediate Similarity	NPC35000
0.8224	Intermediate Similarity	NPC155939
0.8224	Intermediate Similarity	NPC469336
0.8219	Intermediate Similarity	NPC205071
0.8219	Intermediate Similarity	NPC64568
0.8219	Intermediate Similarity	NPC476946
0.8212	Intermediate Similarity	NPC469503
0.8212	Intermediate Similarity	NPC48671
0.8212	Intermediate Similarity	NPC475777
0.8188	Intermediate Similarity	NPC471007
0.8188	Intermediate Similarity	NPC477123
0.8188	Intermediate Similarity	NPC477966
0.8182	Intermediate Similarity	NPC144745
0.8182	Intermediate Similarity	NPC310043
0.8182	Intermediate Similarity	NPC4764
0.8182	Intermediate Similarity	NPC470742

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC202260 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	207
0.1-0.2	906
0.2-0.3	1189
0.3-0.4	2104
0.4-0.5	2394
0.5-0.6	1560
0.6-0.7	631
0.7-0.8	165
0.8-0.85	4
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8582	High Similarity	NPD2343	Clinical (unspecified phase)
0.8493	Intermediate Similarity	NPD6273	Approved
0.8151	Intermediate Similarity	NPD7003	Approved
0.8085	Intermediate Similarity	NPD8032	Phase 2
0.8056	Intermediate Similarity	NPD2799	Discontinued
0.7959	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7945	Intermediate Similarity	NPD2346	Discontinued
0.7914	Intermediate Similarity	NPD6764	Approved
0.7914	Intermediate Similarity	NPD6765	Approved
0.7905	Intermediate Similarity	NPD4628	Phase 3
0.7902	Intermediate Similarity	NPD4140	Approved
0.7871	Intermediate Similarity	NPD5760	Phase 2
0.7871	Intermediate Similarity	NPD5761	Phase 2
0.7843	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7843	Intermediate Similarity	NPD7458	Discontinued
0.7821	Intermediate Similarity	NPD5616	Clinical (unspecified phase)
0.7786	Intermediate Similarity	NPD2797	Approved
0.7784	Intermediate Similarity	NPD8434	Phase 2
0.7762	Intermediate Similarity	NPD2313	Discontinued
0.773	Intermediate Similarity	NPD2798	Approved
0.7725	Intermediate Similarity	NPD6785	Approved
0.7725	Intermediate Similarity	NPD6784	Approved
0.7714	Intermediate Similarity	NPD1283	Approved
0.7703	Intermediate Similarity	NPD1471	Phase 3
0.7703	Intermediate Similarity	NPD2344	Approved
0.7698	Intermediate Similarity	NPD3972	Approved
0.7692	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7643	Intermediate Similarity	NPD7819	Suspended
0.7639	Intermediate Similarity	NPD3268	Approved
0.7613	Intermediate Similarity	NPD3226	Approved
0.7603	Intermediate Similarity	NPD6355	Discontinued
0.7589	Intermediate Similarity	NPD1876	Approved
0.7582	Intermediate Similarity	NPD7004	Clinical (unspecified phase)
0.7578	Intermediate Similarity	NPD8127	Discontinued
0.7571	Intermediate Similarity	NPD1608	Approved
0.7568	Intermediate Similarity	NPD4308	Phase 3
0.755	Intermediate Similarity	NPD4110	Phase 3
0.755	Intermediate Similarity	NPD4109	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD6398	Clinical (unspecified phase)
0.755	Intermediate Similarity	NPD3750	Approved
0.755	Intermediate Similarity	NPD8166	Discontinued
0.7536	Intermediate Similarity	NPD5585	Approved
0.7517	Intermediate Similarity	NPD4476	Approved
0.7517	Intermediate Similarity	NPD4477	Approved
0.7517	Intermediate Similarity	NPD6798	Discontinued
0.7517	Intermediate Similarity	NPD3764	Approved
0.7517	Intermediate Similarity	NPD2935	Discontinued
0.75	Intermediate Similarity	NPD2309	Approved
0.75	Intermediate Similarity	NPD6832	Phase 2
0.75	Intermediate Similarity	NPD1281	Approved
0.75	Intermediate Similarity	NPD1547	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7482	Intermediate Similarity	NPD1778	Approved
0.7481	Intermediate Similarity	NPD1241	Discontinued
0.7466	Intermediate Similarity	NPD6663	Approved
0.7453	Intermediate Similarity	NPD5537	Clinical (unspecified phase)
0.7452	Intermediate Similarity	NPD6599	Discontinued
0.7451	Intermediate Similarity	NPD7236	Approved
0.7451	Intermediate Similarity	NPD643	Clinical (unspecified phase)
0.745	Intermediate Similarity	NPD3748	Approved
0.7448	Intermediate Similarity	NPD7095	Approved
0.7431	Intermediate Similarity	NPD5736	Approved
0.7415	Intermediate Similarity	NPD4307	Phase 2
0.7415	Intermediate Similarity	NPD2979	Phase 3
0.7413	Intermediate Similarity	NPD3266	Approved
0.7413	Intermediate Similarity	NPD3267	Approved
0.741	Intermediate Similarity	NPD5691	Approved
0.7405	Intermediate Similarity	NPD7411	Suspended
0.74	Intermediate Similarity	NPD1551	Phase 2
0.7394	Intermediate Similarity	NPD5327	Phase 3
0.7391	Intermediate Similarity	NPD3749	Approved
0.7381	Intermediate Similarity	NPD6559	Discontinued
0.7372	Intermediate Similarity	NPD920	Approved
0.7357	Intermediate Similarity	NPD4626	Approved
0.7357	Intermediate Similarity	NPD17	Approved
0.7357	Intermediate Similarity	NPD3019	Approved
0.7355	Intermediate Similarity	NPD642	Clinical (unspecified phase)
0.7338	Intermediate Similarity	NPD1894	Discontinued
0.7329	Intermediate Similarity	NPD7768	Phase 2
0.7329	Intermediate Similarity	NPD7008	Discontinued
0.7324	Intermediate Similarity	NPD9717	Approved
0.7312	Intermediate Similarity	NPD7096	Clinical (unspecified phase)
0.7299	Intermediate Similarity	NPD5951	Approved
0.7297	Intermediate Similarity	NPD4060	Phase 1
0.7292	Intermediate Similarity	NPD1203	Approved
0.7286	Intermediate Similarity	NPD1651	Approved
0.7285	Intermediate Similarity	NPD6099	Approved
0.7285	Intermediate Similarity	NPD2796	Approved
0.7285	Intermediate Similarity	NPD6100	Approved
0.7273	Intermediate Similarity	NPD4359	Approved
0.7261	Intermediate Similarity	NPD7427	Discontinued
0.7259	Intermediate Similarity	NPD2181	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD1243	Approved
0.7248	Intermediate Similarity	NPD1899	Clinical (unspecified phase)
0.7248	Intermediate Similarity	NPD5735	Approved
0.7234	Intermediate Similarity	NPD2932	Approved
0.7233	Intermediate Similarity	NPD7028	Phase 2
0.723	Intermediate Similarity	NPD6233	Phase 2
0.7226	Intermediate Similarity	NPD7440	Discontinued
0.7215	Intermediate Similarity	NPD7239	Suspended
0.7202	Intermediate Similarity	NPD5844	Phase 1
0.72	Intermediate Similarity	NPD6353	Approved
0.719	Intermediate Similarity	NPD4534	Discontinued
0.7183	Intermediate Similarity	NPD3496	Discontinued
0.7179	Intermediate Similarity	NPD6143	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD6799	Approved
0.7178	Intermediate Similarity	NPD7075	Discontinued
0.7171	Intermediate Similarity	NPD2531	Phase 2
0.7171	Intermediate Similarity	NPD2438	Suspended
0.7162	Intermediate Similarity	NPD411	Approved
0.7162	Intermediate Similarity	NPD6859	Clinical (unspecified phase)
0.716	Intermediate Similarity	NPD8443	Clinical (unspecified phase)
0.7153	Intermediate Similarity	NPD5535	Approved
0.7152	Intermediate Similarity	NPD7097	Phase 1
0.7143	Intermediate Similarity	NPD7177	Discontinued
0.7143	Intermediate Similarity	NPD2614	Approved
0.7134	Intermediate Similarity	NPD2533	Approved
0.7134	Intermediate Similarity	NPD919	Approved
0.7134	Intermediate Similarity	NPD2534	Approved
0.7134	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.7134	Intermediate Similarity	NPD2532	Approved
0.7133	Intermediate Similarity	NPD4622	Approved
0.7133	Intermediate Similarity	NPD4618	Approved
0.7126	Intermediate Similarity	NPD7852	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD6005	Phase 3
0.7124	Intermediate Similarity	NPD6004	Phase 3
0.7124	Intermediate Similarity	NPD6002	Phase 3
0.7124	Intermediate Similarity	NPD5763	Approved
0.7124	Intermediate Similarity	NPD6003	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD5762	Approved
0.7124	Intermediate Similarity	NPD6006	Clinical (unspecified phase)
0.7123	Intermediate Similarity	NPD4624	Approved
0.7092	Intermediate Similarity	NPD9545	Approved
0.709	Intermediate Similarity	NPD3134	Approved
0.7089	Intermediate Similarity	NPD5049	Phase 3
0.7078	Intermediate Similarity	NPD1549	Phase 2
0.7078	Intermediate Similarity	NPD970	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD5958	Discontinued
0.7063	Intermediate Similarity	NPD3023	Approved
0.7063	Intermediate Similarity	NPD3026	Approved
0.7051	Intermediate Similarity	NPD2354	Approved
0.7051	Intermediate Similarity	NPD3887	Approved
0.7044	Intermediate Similarity	NPD6980	Clinical (unspecified phase)
0.7042	Intermediate Similarity	NPD3024	Approved
0.7042	Intermediate Similarity	NPD3025	Approved
0.7041	Intermediate Similarity	NPD7893	Clinical (unspecified phase)
0.7039	Intermediate Similarity	NPD5689	Approved
0.7039	Intermediate Similarity	NPD5688	Approved
0.7037	Intermediate Similarity	NPD6279	Approved
0.7037	Intermediate Similarity	NPD6801	Discontinued
0.7037	Intermediate Similarity	NPD7577	Discontinued
0.7037	Intermediate Similarity	NPD37	Approved
0.7037	Intermediate Similarity	NPD6280	Approved
0.7025	Intermediate Similarity	NPD7410	Clinical (unspecified phase)
0.702	Intermediate Similarity	NPD1933	Approved
0.702	Intermediate Similarity	NPD447	Suspended
0.7014	Intermediate Similarity	NPD1201	Approved
0.7013	Intermediate Similarity	NPD1552	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD1550	Clinical (unspecified phase)
0.7013	Intermediate Similarity	NPD6800	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD4966	Approved
0.7012	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7012	Intermediate Similarity	NPD4967	Phase 2
0.7012	Intermediate Similarity	NPD4965	Approved
0.7007	Intermediate Similarity	NPD5647	Approved
0.7007	Intermediate Similarity	NPD1019	Discontinued
0.7006	Intermediate Similarity	NPD6808	Phase 2
0.7006	Intermediate Similarity	NPD7229	Phase 3
0.7	Intermediate Similarity	NPD4062	Phase 3
0.7	Intermediate Similarity	NPD4870	Approved
0.6994	Remote Similarity	NPD2393	Clinical (unspecified phase)
0.6994	Remote Similarity	NPD8313	Approved
0.6994	Remote Similarity	NPD8312	Approved
0.6993	Remote Similarity	NPD7163	Clinical (unspecified phase)
0.6993	Remote Similarity	NPD7033	Discontinued
0.6993	Remote Similarity	NPD1510	Phase 2
0.6988	Remote Similarity	NPD5494	Approved
0.6982	Remote Similarity	NPD7473	Discontinued
0.6975	Remote Similarity	NPD6677	Suspended
0.6974	Remote Similarity	NPD1607	Approved
0.697	Remote Similarity	NPD8005	Clinical (unspecified phase)
0.6968	Remote Similarity	NPD2897	Discontinued
0.6966	Remote Similarity	NPD1481	Phase 2
0.6959	Remote Similarity	NPD9494	Approved
0.6957	Remote Similarity	NPD2651	Approved
0.6957	Remote Similarity	NPD2649	Approved
0.6954	Remote Similarity	NPD3140	Approved
0.6954	Remote Similarity	NPD1240	Approved
0.6954	Remote Similarity	NPD3142	Approved
0.6951	Remote Similarity	NPD2296	Approved
0.6951	Remote Similarity	NPD3817	Phase 2
0.695	Remote Similarity	NPD9493	Approved
0.6946	Remote Similarity	NPD7199	Phase 2
0.6946	Remote Similarity	NPD6959	Discontinued
0.6944	Remote Similarity	NPD7457	Clinical (unspecified phase)
0.6944	Remote Similarity	NPD3847	Discontinued
0.6939	Remote Similarity	NPD1049	Clinical (unspecified phase)
0.6939	Remote Similarity	NPD1470	Approved
0.6937	Remote Similarity	NPD5403	Approved
0.6937	Remote Similarity	NPD3873	Phase 3

Structure

CID202260 OpenBabel06191715592D 23 26 0 0 1 0 0 0 0 0999 V2000 -3.4641 -3.0000 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 0.5000 -0.8660 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 -2.0000 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 -5.2812 -1.8090 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 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -1.0000 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 -3.4641 -2.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 1 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 -0.5000 0.0000 C 0 0 1 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 -0.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5000 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 6 17 1 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 1 1 1 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 5 1 1 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 1 6 0 0 0 16 23 1 0 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 2 1 6 0 0 0 20 3 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	73350581
ChEMBL	CHEMBL2398518
ZINC

Physicochemical Properties

Molecular Weight:	316.20
ALogP:	0.223
MLogP:	3.33
XLogP:	5.576
# Rotatable Bonds:	5
Polar Surface Area:	50.44
# H-Bond Aceptor:	2
# H-Bond Donor:	1
# Rings:	4
# Heavy Atoms:	23

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