NPASS Natural Product

Natural Product: NPC32037

Natural Product ID:	NPC32037
Common Name:	Isobharangin
IUPAC Name:	(2R,4aS)-2,5-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-2,4-dihydrophenanthrene-3,6-dione
Synonyms:	Isobharangin
Molecular Formula:	C20H24O4
Standard InCHIKey:	SJWCDFURBYTOML-ICSRJNTNSA-N
Standard InCHI:	InChI=1S/C20H24O4/c1-10(2)12-8-11-6-7-14-19(3,4)18(24)13(21)9-20(14,5)15(11)17(23)16(12)22/h6-8,10,18,23-24H,9H2,1-5H3/t18-,20-/m0/s1
Canonical SMILES:	O=C1C[C@]2(C)C3=C(O)C(=O)C(=CC3=CC=C2C([C@H]1O)(C)C)C(C)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
NPO33238	pygmacopremna herbacea	Species	NA	NA	roots			PMID[21708464]

Biological Activity

Activity Type	# Activity
IC50	5

Activity Type	# Activity
Cell Line	5

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT81	Cell Line	A549	Homo sapiens	IC50	=	24.1	ug/ml	DrugMatrix in vitro pharmacology data
NPT306	Cell Line	PC-3	Homo sapiens	IC50	=	62.2	ug/ml	14738378
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	28.2	ug/ml	10691710
NPT165	Cell Line	HeLa	Homo sapiens	IC50	=	103.4	ug/ml	19374387
NPT65	Cell Line	HepG2	Homo sapiens	IC50	=	6.29	ug/ml	18625769

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 NPC32037 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	116
0.1-0.2	615
0.2-0.3	2691
0.3-0.4	6069
0.4-0.5	11075
0.5-0.6	5956
0.6-0.7	3397
0.7-0.8	922
0.8-0.85	40
0.85-0.9	8
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8902	High Similarity	NPC103486
0.8861	High Similarity	NPC110725
0.8652	High Similarity	NPC474328
0.8652	High Similarity	NPC23170
0.8554	High Similarity	NPC55869
0.8554	High Similarity	NPC225515
0.8539	High Similarity	NPC211230
0.8537	High Similarity	NPC27817
0.8488	Intermediate Similarity	NPC472974
0.8434	Intermediate Similarity	NPC108955
0.8427	Intermediate Similarity	NPC99380
0.8415	Intermediate Similarity	NPC189485
0.8372	Intermediate Similarity	NPC132228
0.8372	Intermediate Similarity	NPC8518
0.8372	Intermediate Similarity	NPC263997
0.8352	Intermediate Similarity	NPC280725
0.8333	Intermediate Similarity	NPC116797
0.8333	Intermediate Similarity	NPC121984
0.8333	Intermediate Similarity	NPC134826
0.8295	Intermediate Similarity	NPC53454
0.8276	Intermediate Similarity	NPC94666
0.8272	Intermediate Similarity	NPC175079
0.8242	Intermediate Similarity	NPC474882
0.8235	Intermediate Similarity	NPC48362
0.8214	Intermediate Similarity	NPC74086
0.8182	Intermediate Similarity	NPC272039
0.8182	Intermediate Similarity	NPC220930
0.8171	Intermediate Similarity	NPC470525
0.8161	Intermediate Similarity	NPC6185
0.8161	Intermediate Similarity	NPC241512
0.8118	Intermediate Similarity	NPC6663
0.8111	Intermediate Similarity	NPC129913
0.809	Intermediate Similarity	NPC471722
0.8068	Intermediate Similarity	NPC475022
0.8068	Intermediate Similarity	NPC222613
0.8068	Intermediate Similarity	NPC118648
0.8043	Intermediate Similarity	NPC196485
0.8043	Intermediate Similarity	NPC245972
0.8022	Intermediate Similarity	NPC168027
0.8022	Intermediate Similarity	NPC185936
0.8	Intermediate Similarity	NPC119416
0.8	Intermediate Similarity	NPC31985
0.8	Intermediate Similarity	NPC2482
0.8	Intermediate Similarity	NPC65615
0.8	Intermediate Similarity	NPC474245
0.8	Intermediate Similarity	NPC474918
0.8	Intermediate Similarity	NPC68148
0.8	Intermediate Similarity	NPC1015
0.7978	Intermediate Similarity	NPC475740
0.7978	Intermediate Similarity	NPC136548
0.7978	Intermediate Similarity	NPC472324
0.7976	Intermediate Similarity	NPC475994
0.7976	Intermediate Similarity	NPC30321
0.7955	Intermediate Similarity	NPC470574
0.7955	Intermediate Similarity	NPC255174
0.7955	Intermediate Similarity	NPC79573
0.7955	Intermediate Similarity	NPC470177
0.7955	Intermediate Similarity	NPC474680
0.7952	Intermediate Similarity	NPC1254
0.7952	Intermediate Similarity	NPC250621
0.7952	Intermediate Similarity	NPC92080
0.7935	Intermediate Similarity	NPC250575
0.7935	Intermediate Similarity	NPC263780
0.7931	Intermediate Similarity	NPC105803
0.7927	Intermediate Similarity	NPC147438
0.7917	Intermediate Similarity	NPC472637
0.7912	Intermediate Similarity	NPC191684
0.7912	Intermediate Similarity	NPC474209
0.7912	Intermediate Similarity	NPC475823
0.7907	Intermediate Similarity	NPC14151
0.7907	Intermediate Similarity	NPC474085
0.7907	Intermediate Similarity	NPC99308
0.7889	Intermediate Similarity	NPC230387
0.7889	Intermediate Similarity	NPC158778
0.7889	Intermediate Similarity	NPC473229
0.7889	Intermediate Similarity	NPC307298
0.7889	Intermediate Similarity	NPC206060
0.7882	Intermediate Similarity	NPC472490
0.7875	Intermediate Similarity	NPC474060
0.7872	Intermediate Similarity	NPC96859
0.7872	Intermediate Similarity	NPC305483
0.7872	Intermediate Similarity	NPC117133
0.7872	Intermediate Similarity	NPC328162
0.7865	Intermediate Similarity	NPC472986
0.7865	Intermediate Similarity	NPC145879
0.7865	Intermediate Similarity	NPC203795
0.7865	Intermediate Similarity	NPC327115
0.7865	Intermediate Similarity	NPC20688
0.7865	Intermediate Similarity	NPC474732
0.7865	Intermediate Similarity	NPC474778
0.7865	Intermediate Similarity	NPC472985
0.7865	Intermediate Similarity	NPC474733
0.7865	Intermediate Similarity	NPC72133
0.7865	Intermediate Similarity	NPC51014
0.7865	Intermediate Similarity	NPC31564
0.7857	Intermediate Similarity	NPC283087
0.7857	Intermediate Similarity	NPC197659
0.7857	Intermediate Similarity	NPC213366
0.7849	Intermediate Similarity	NPC472976
0.7849	Intermediate Similarity	NPC472977
0.7841	Intermediate Similarity	NPC53385
0.7841	Intermediate Similarity	NPC473246
0.7841	Intermediate Similarity	NPC237712
0.7826	Intermediate Similarity	NPC472978
0.7826	Intermediate Similarity	NPC19114
0.7826	Intermediate Similarity	NPC131872
0.7826	Intermediate Similarity	NPC174167
0.7826	Intermediate Similarity	NPC470036
0.7816	Intermediate Similarity	NPC212083
0.7816	Intermediate Similarity	NPC151519
0.7802	Intermediate Similarity	NPC472983
0.7802	Intermediate Similarity	NPC210216
0.7802	Intermediate Similarity	NPC472973
0.7802	Intermediate Similarity	NPC86319
0.7802	Intermediate Similarity	NPC275740
0.7802	Intermediate Similarity	NPC112454
0.7791	Intermediate Similarity	NPC472478
0.7789	Intermediate Similarity	NPC471815
0.7778	Intermediate Similarity	NPC470523
0.7778	Intermediate Similarity	NPC141292
0.7778	Intermediate Similarity	NPC58063
0.7778	Intermediate Similarity	NPC173321
0.7765	Intermediate Similarity	NPC178852
0.7765	Intermediate Similarity	NPC62336
0.7753	Intermediate Similarity	NPC133652
0.7753	Intermediate Similarity	NPC33881
0.7753	Intermediate Similarity	NPC197823
0.7753	Intermediate Similarity	NPC476426
0.7753	Intermediate Similarity	NPC90287
0.7753	Intermediate Similarity	NPC15807
0.7742	Intermediate Similarity	NPC12722
0.7738	Intermediate Similarity	NPC263582
0.7738	Intermediate Similarity	NPC26504
0.7732	Intermediate Similarity	NPC470184
0.7727	Intermediate Similarity	NPC53733
0.7727	Intermediate Similarity	NPC64600
0.7727	Intermediate Similarity	NPC309309
0.7727	Intermediate Similarity	NPC291999
0.7717	Intermediate Similarity	NPC48010
0.7717	Intermediate Similarity	NPC113393
0.7717	Intermediate Similarity	NPC472325
0.7717	Intermediate Similarity	NPC85173
0.7708	Intermediate Similarity	NPC166745
0.7708	Intermediate Similarity	NPC471717
0.7708	Intermediate Similarity	NPC147954
0.7708	Intermediate Similarity	NPC478056
0.7708	Intermediate Similarity	NPC235464
0.7701	Intermediate Similarity	NPC136150
0.7701	Intermediate Similarity	NPC470034
0.7701	Intermediate Similarity	NPC475863
0.7701	Intermediate Similarity	NPC473420
0.7692	Intermediate Similarity	NPC471724
0.7692	Intermediate Similarity	NPC131470
0.7692	Intermediate Similarity	NPC310752
0.7692	Intermediate Similarity	NPC470524
0.7692	Intermediate Similarity	NPC292491
0.7692	Intermediate Similarity	NPC472802
0.7692	Intermediate Similarity	NPC475001
0.7692	Intermediate Similarity	NPC474677
0.7692	Intermediate Similarity	NPC143767
0.7692	Intermediate Similarity	NPC185059
0.7692	Intermediate Similarity	NPC328539
0.7684	Intermediate Similarity	NPC192428
0.7684	Intermediate Similarity	NPC473158
0.7674	Intermediate Similarity	NPC474113
0.7674	Intermediate Similarity	NPC476177
0.7674	Intermediate Similarity	NPC19900
0.7674	Intermediate Similarity	NPC281138
0.7674	Intermediate Similarity	NPC308038
0.7667	Intermediate Similarity	NPC158393
0.766	Intermediate Similarity	NPC299100
0.766	Intermediate Similarity	NPC166906
0.766	Intermediate Similarity	NPC474690
0.766	Intermediate Similarity	NPC80365
0.766	Intermediate Similarity	NPC473162
0.7647	Intermediate Similarity	NPC476811
0.7647	Intermediate Similarity	NPC211279
0.764	Intermediate Similarity	NPC476412
0.764	Intermediate Similarity	NPC58841
0.764	Intermediate Similarity	NPC59453
0.764	Intermediate Similarity	NPC221758
0.764	Intermediate Similarity	NPC329043
0.764	Intermediate Similarity	NPC161423
0.764	Intermediate Similarity	NPC321187
0.764	Intermediate Similarity	NPC180834
0.764	Intermediate Similarity	NPC85774
0.764	Intermediate Similarity	NPC472265
0.764	Intermediate Similarity	NPC227064
0.764	Intermediate Similarity	NPC214043
0.7634	Intermediate Similarity	NPC158030
0.7634	Intermediate Similarity	NPC301244
0.7634	Intermediate Similarity	NPC155304
0.7634	Intermediate Similarity	NPC233455
0.7634	Intermediate Similarity	NPC4036
0.7634	Intermediate Similarity	NPC474525
0.7634	Intermediate Similarity	NPC472975
0.7634	Intermediate Similarity	NPC145067
0.7634	Intermediate Similarity	NPC65120
0.7634	Intermediate Similarity	NPC248913
0.7634	Intermediate Similarity	NPC272746

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC32037 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	127
0.1-0.2	977
0.2-0.3	3472
0.3-0.4	2948
0.4-0.5	1124
0.5-0.6	246
0.6-0.7	187
0.7-0.8	77
0.8-0.85	3
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.8488	Intermediate Similarity	NPD5279	Phase 3
0.8434	Intermediate Similarity	NPD4695	Discontinued
0.8214	Intermediate Similarity	NPD8259	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.7872	Intermediate Similarity	NPD5222	Approved
0.7872	Intermediate Similarity	NPD5221	Approved
0.7865	Intermediate Similarity	NPD3618	Phase 1
0.7816	Intermediate Similarity	NPD3667	Approved
0.7802	Intermediate Similarity	NPD7285	Clinical (unspecified phase)
0.7789	Intermediate Similarity	NPD5173	Approved
0.7684	Intermediate Similarity	NPD4697	Phase 3
0.7667	Intermediate Similarity	NPD5280	Approved
0.7667	Intermediate Similarity	NPD4694	Approved
0.764	Intermediate Similarity	NPD3133	Approved
0.764	Intermediate Similarity	NPD3665	Phase 1
0.764	Intermediate Similarity	NPD4786	Approved
0.764	Intermediate Similarity	NPD3666	Approved
0.7634	Intermediate Similarity	NPD6079	Approved
0.7634	Intermediate Similarity	NPD7515	Phase 2
0.7629	Intermediate Similarity	NPD5286	Approved
0.7629	Intermediate Similarity	NPD4696	Approved
0.7629	Intermediate Similarity	NPD5285	Approved
0.7609	Intermediate Similarity	NPD4753	Phase 2
0.7609	Intermediate Similarity	NPD5328	Approved
0.7604	Intermediate Similarity	NPD4755	Approved
0.7551	Intermediate Similarity	NPD5223	Approved
0.7475	Intermediate Similarity	NPD5226	Approved
0.7475	Intermediate Similarity	NPD4633	Approved
0.7475	Intermediate Similarity	NPD5211	Phase 2
0.7475	Intermediate Similarity	NPD5225	Approved
0.7475	Intermediate Similarity	NPD5224	Approved
0.7473	Intermediate Similarity	NPD5690	Phase 2
0.7449	Intermediate Similarity	NPD4700	Approved
0.74	Intermediate Similarity	NPD5175	Approved
0.74	Intermediate Similarity	NPD5174	Approved
0.7396	Intermediate Similarity	NPD5210	Approved
0.7396	Intermediate Similarity	NPD4629	Approved
0.7368	Intermediate Similarity	NPD4202	Approved
0.7356	Intermediate Similarity	NPD3617	Approved
0.7342	Intermediate Similarity	NPD2664	Clinical (unspecified phase)
0.7327	Intermediate Similarity	NPD5141	Approved
0.7292	Intermediate Similarity	NPD7748	Approved
0.7253	Intermediate Similarity	NPD4197	Approved
0.7253	Intermediate Similarity	NPD3668	Phase 3
0.7228	Intermediate Similarity	NPD4754	Approved
0.7216	Intermediate Similarity	NPD5695	Phase 3
0.7184	Intermediate Similarity	NPD5697	Approved
0.7174	Intermediate Similarity	NPD1696	Phase 3
0.7174	Intermediate Similarity	NPD5329	Approved
0.7115	Intermediate Similarity	NPD6899	Approved
0.7115	Intermediate Similarity	NPD6881	Approved
0.7115	Intermediate Similarity	NPD4729	Approved
0.7115	Intermediate Similarity	NPD4730	Approved
0.7115	Intermediate Similarity	NPD6011	Approved
0.7115	Intermediate Similarity	NPD5128	Approved
0.7115	Intermediate Similarity	NPD5168	Approved
0.7097	Intermediate Similarity	NPD3574	Clinical (unspecified phase)
0.7087	Intermediate Similarity	NPD6402	Approved
0.7087	Intermediate Similarity	NPD4767	Approved
0.7087	Intermediate Similarity	NPD4768	Approved
0.7087	Intermediate Similarity	NPD5739	Approved
0.7087	Intermediate Similarity	NPD7128	Approved
0.7087	Intermediate Similarity	NPD6675	Approved
0.7083	Intermediate Similarity	NPD5284	Approved
0.7083	Intermediate Similarity	NPD6411	Approved
0.7083	Intermediate Similarity	NPD5281	Approved
0.7073	Intermediate Similarity	NPD3704	Approved
0.7071	Intermediate Similarity	NPD6084	Phase 2
0.7071	Intermediate Similarity	NPD6083	Phase 2
0.7071	Intermediate Similarity	NPD7902	Approved
0.7059	Intermediate Similarity	NPD5276	Approved
0.7048	Intermediate Similarity	NPD6014	Approved
0.7048	Intermediate Similarity	NPD6012	Approved
0.7048	Intermediate Similarity	NPD6013	Approved
0.7045	Intermediate Similarity	NPD4756	Discovery
0.7033	Intermediate Similarity	NPD4223	Phase 3
0.7033	Intermediate Similarity	NPD4221	Approved
0.7019	Intermediate Similarity	NPD5701	Approved
0.701	Intermediate Similarity	NPD5133	Approved
0.701	Intermediate Similarity	NPD6399	Phase 3
0.6981	Remote Similarity	NPD5169	Approved
0.6981	Remote Similarity	NPD5248	Approved
0.6981	Remote Similarity	NPD5134	Clinical (unspecified phase)
0.6981	Remote Similarity	NPD4634	Approved
0.6981	Remote Similarity	NPD7102	Approved
0.6981	Remote Similarity	NPD7290	Approved
0.6981	Remote Similarity	NPD5250	Approved
0.6981	Remote Similarity	NPD6883	Approved
0.6981	Remote Similarity	NPD5247	Approved
0.6981	Remote Similarity	NPD5135	Approved
0.6981	Remote Similarity	NPD5251	Approved
0.6981	Remote Similarity	NPD5249	Phase 3
0.6979	Remote Similarity	NPD4096	Approved
0.6979	Remote Similarity	NPD5692	Phase 3
0.6952	Remote Similarity	NPD7320	Approved
0.6947	Remote Similarity	NPD4518	Approved
0.6947	Remote Similarity	NPD6672	Approved
0.6947	Remote Similarity	NPD5737	Approved
0.6916	Remote Similarity	NPD6650	Approved
0.6916	Remote Similarity	NPD8130	Phase 1
0.6916	Remote Similarity	NPD5127	Approved
0.6916	Remote Similarity	NPD5215	Approved
0.6916	Remote Similarity	NPD6617	Approved
0.6916	Remote Similarity	NPD5216	Approved
0.6916	Remote Similarity	NPD6869	Approved
0.6916	Remote Similarity	NPD5217	Approved
0.6916	Remote Similarity	NPD6649	Approved
0.6916	Remote Similarity	NPD6847	Approved
0.6907	Remote Similarity	NPD5694	Approved
0.6907	Remote Similarity	NPD6050	Approved
0.6897	Remote Similarity	NPD5733	Approved
0.6897	Remote Similarity	NPD4687	Approved
0.6897	Remote Similarity	NPD4058	Approved
0.6887	Remote Similarity	NPD6372	Approved
0.6887	Remote Similarity	NPD6373	Approved
0.6875	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD6101	Approved
0.6867	Remote Similarity	NPD7331	Phase 2
0.6852	Remote Similarity	NPD8297	Approved
0.6852	Remote Similarity	NPD6882	Approved
0.6832	Remote Similarity	NPD5696	Approved
0.6818	Remote Similarity	NPD8264	Approved
0.6789	Remote Similarity	NPD4632	Approved
0.6774	Remote Similarity	NPD4788	Approved
0.6768	Remote Similarity	NPD5282	Discontinued
0.6768	Remote Similarity	NPD7900	Approved
0.6768	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6759	Remote Similarity	NPD6401	Clinical (unspecified phase)
0.6744	Remote Similarity	NPD4691	Approved
0.6742	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6737	Remote Similarity	NPD4693	Phase 3
0.6737	Remote Similarity	NPD4689	Approved
0.6737	Remote Similarity	NPD6409	Approved
0.6737	Remote Similarity	NPD4688	Approved
0.6737	Remote Similarity	NPD4138	Approved
0.6737	Remote Similarity	NPD5330	Approved
0.6737	Remote Similarity	NPD7521	Approved
0.6737	Remote Similarity	NPD6684	Approved
0.6737	Remote Similarity	NPD4623	Approved
0.6737	Remote Similarity	NPD4690	Approved
0.6737	Remote Similarity	NPD5205	Approved
0.6737	Remote Similarity	NPD4519	Discontinued
0.6737	Remote Similarity	NPD7334	Approved
0.6737	Remote Similarity	NPD7146	Approved
0.6727	Remote Similarity	NPD5167	Approved
0.6667	Remote Similarity	NPD6108	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD6868	Approved
0.6667	Remote Similarity	NPD6274	Approved
0.6667	Remote Similarity	NPD3573	Approved
0.6629	Remote Similarity	NPD6942	Approved
0.6629	Remote Similarity	NPD7339	Approved
0.6628	Remote Similarity	NPD4137	Phase 3
0.6607	Remote Similarity	NPD6009	Approved
0.6607	Remote Similarity	NPD6317	Approved
0.6598	Remote Similarity	NPD6903	Approved
0.6598	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6552	Remote Similarity	NPD4747	Approved
0.6549	Remote Similarity	NPD6335	Approved
0.6549	Remote Similarity	NPD6313	Approved
0.6549	Remote Similarity	NPD6314	Approved
0.6548	Remote Similarity	NPD7341	Phase 2
0.6535	Remote Similarity	NPD5654	Approved
0.6531	Remote Similarity	NPD6904	Approved
0.6531	Remote Similarity	NPD6673	Approved
0.6531	Remote Similarity	NPD6080	Approved
0.6522	Remote Similarity	NPD7645	Phase 2
0.6522	Remote Similarity	NPD4195	Approved
0.6517	Remote Similarity	NPD6924	Approved
0.6517	Remote Similarity	NPD6926	Approved
0.6505	Remote Similarity	NPD7638	Approved
0.6505	Remote Similarity	NPD4225	Approved
0.65	Remote Similarity	NPD5779	Approved
0.65	Remote Similarity	NPD5778	Approved
0.6491	Remote Similarity	NPD7101	Approved
0.6491	Remote Similarity	NPD7100	Approved
0.6489	Remote Similarity	NPD4752	Clinical (unspecified phase)
0.6477	Remote Similarity	NPD7150	Approved
0.6477	Remote Similarity	NPD7151	Approved
0.6477	Remote Similarity	NPD7152	Approved
0.6476	Remote Similarity	NPD5091	Approved
0.6471	Remote Similarity	NPD7614	Phase 1
0.6465	Remote Similarity	NPD5785	Approved
0.6465	Remote Similarity	NPD5207	Approved
0.646	Remote Similarity	NPD7115	Discovery
0.6458	Remote Similarity	NPD5363	Approved
0.6458	Remote Similarity	NPD1694	Approved
0.6458	Remote Similarity	NPD7520	Clinical (unspecified phase)
0.6452	Remote Similarity	NPD7525	Registered
0.6442	Remote Similarity	NPD7640	Approved
0.6442	Remote Similarity	NPD7639	Approved
0.6437	Remote Similarity	NPD6923	Approved
0.6437	Remote Similarity	NPD6922	Approved
0.6435	Remote Similarity	NPD6054	Approved
0.6435	Remote Similarity	NPD6319	Approved
0.6421	Remote Similarity	NPD3527	Clinical (unspecified phase)
0.6413	Remote Similarity	NPD5784	Clinical (unspecified phase)
0.6408	Remote Similarity	NPD5959	Approved
0.64	Remote Similarity	NPD5693	Phase 1
0.6389	Remote Similarity	NPD6412	Phase 2
0.6383	Remote Similarity	NPD4139	Approved

Structure

NPC32037 OpenBabel07101718202D 24 26 0 0 1 0 0 0 0 0999 V2000 5.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.5000 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 0.5000 -0.8660 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 2.5981 0.5000 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 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 4.3301 3.5000 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 3.4641 3.0000 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 0.5000 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 2.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 1.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.5000 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 1 10 1 0 0 0 0 2 10 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 14 2 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 18 1 0 0 0 0 13 21 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 1 0 0 0 20 5 1 1 0 0 0 M END $$$$

External Identifiers

PubChem CID	56659753
ChEMBL	CHEMBL1807755
ZINC

Physicochemical Properties

Molecular Weight:	328.17
ALogP:	1.1748
MLogP:	3.22
XLogP:	2.534
# Rotatable Bonds:	8
Polar Surface Area:	74.6
# H-Bond Aceptor:	4
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	24

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