NPASS Natural Product

Natural Product: NPC470615

Natural Product ID:	NPC470615
Common Name:	n.a.
IUPAC Name:
Synonyms:	Rel-Laxiflorin R
Molecular Formula:	C20H24O5
Standard InCHIKey:	LRBFGRIVMPSVAV-JYDRGEROSA-N
Standard InCHI:	InChI=1S/C20H24O5/c1-9-10-4-5-11-19(7-10,16(9)23)17(24)14(22)15-18(2,3)13-6-12(21)20(11,15)8-25-13/h10-11,13,16,22-23H,1,4-8H2,2-3H3/t10-,11-,13-,16-,19+,20-/m1/s1
Canonical SMILES:	C=C1[C@@H]2CC[C@@H]3[C@]([C@@H]1O)(C2)C(=O)C(=C1[C@@]23CO[C@@H](C1(C)C)CC2=O)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
NPO1927	Isodon eriocalyx	Species	Lamiaceae	Eukaryota				PMID[22624550]

Biological Activity

Activity Type	# Activity
IC50	10

Activity Type	# Activity
Cell Line	10

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12589.25	nM	PubChem BioAssay data set
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	9900	nM	16413779
NPT660	Cell Line	SW480	Homo sapiens	IC50	=	15400	nM	10.1039/C4MD00303A
NPT116	Cell Line	HL-60	Homo sapiens	IC50	=	5011.87	nM	8254344
NPT659	Cell Line	SMMC-7721	Homo sapiens	IC50	=	21500	nM	10924177
NPT81	Cell Line	A549	Homo sapiens	IC50	=	25118.86	nM	23398362
NPT83	Cell Line	MCF7	Homo sapiens	IC50	=	12900	nM	8383731
NPT659	Cell Line	SMMC-7721	Homo sapiens	IC50	=	19952.62	nM	19115838
NPT660	Cell Line	SW480	Homo sapiens	IC50	=	15848.93	nM	PubChem BioAssay data set
NPT81	Cell Line	A549	Homo sapiens	IC50	=	24900	nM	17261619

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 NPC470615 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	153
0.1-0.2	948
0.2-0.3	2982
0.3-0.4	5826
0.4-0.5	9079
0.5-0.6	5935
0.6-0.7	4484
0.7-0.8	1452
0.8-0.85	28
0.85-0.9	2
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Natural Product ID
0.8835	High Similarity	NPC163249
0.875	High Similarity	NPC266
0.8378	Intermediate Similarity	NPC194100
0.8319	Intermediate Similarity	NPC218970
0.8273	Intermediate Similarity	NPC206595
0.8224	Intermediate Similarity	NPC159442
0.8224	Intermediate Similarity	NPC275583
0.8198	Intermediate Similarity	NPC34315
0.819	Intermediate Similarity	NPC470921
0.819	Intermediate Similarity	NPC147954
0.8158	Intermediate Similarity	NPC472927
0.8148	Intermediate Similarity	NPC474558
0.8148	Intermediate Similarity	NPC96268
0.8125	Intermediate Similarity	NPC40608
0.8113	Intermediate Similarity	NPC15390
0.8113	Intermediate Similarity	NPC83709
0.8108	Intermediate Similarity	NPC163314
0.8091	Intermediate Similarity	NPC94529
0.8056	Intermediate Similarity	NPC469985
0.8053	Intermediate Similarity	NPC472926
0.8036	Intermediate Similarity	NPC472928
0.8019	Intermediate Similarity	NPC288
0.8019	Intermediate Similarity	NPC109059
0.8018	Intermediate Similarity	NPC286174
0.8018	Intermediate Similarity	NPC77947
0.8017	Intermediate Similarity	NPC472933
0.8	Intermediate Similarity	NPC471246
0.8	Intermediate Similarity	NPC472925
0.8	Intermediate Similarity	NPC185
0.8	Intermediate Similarity	NPC470171
0.7982	Intermediate Similarity	NPC75531
0.7982	Intermediate Similarity	NPC149124
0.7982	Intermediate Similarity	NPC137657
0.7966	Intermediate Similarity	NPC216866
0.7965	Intermediate Similarity	NPC205534
0.7949	Intermediate Similarity	NPC109973
0.7946	Intermediate Similarity	NPC272898
0.7946	Intermediate Similarity	NPC129689
0.7946	Intermediate Similarity	NPC197428
0.7946	Intermediate Similarity	NPC473036
0.7944	Intermediate Similarity	NPC472972
0.7931	Intermediate Similarity	NPC471249
0.7925	Intermediate Similarity	NPC18509
0.7925	Intermediate Similarity	NPC190554
0.7909	Intermediate Similarity	NPC278628
0.7909	Intermediate Similarity	NPC60681
0.7909	Intermediate Similarity	NPC231530
0.7895	Intermediate Similarity	NPC194273
0.7895	Intermediate Similarity	NPC51978
0.789	Intermediate Similarity	NPC251017
0.789	Intermediate Similarity	NPC26478
0.7885	Intermediate Similarity	NPC109414
0.7881	Intermediate Similarity	NPC472000
0.7881	Intermediate Similarity	NPC471999
0.7876	Intermediate Similarity	NPC471243
0.7876	Intermediate Similarity	NPC207689
0.7876	Intermediate Similarity	NPC472003
0.7876	Intermediate Similarity	NPC115303
0.7876	Intermediate Similarity	NPC171888
0.7876	Intermediate Similarity	NPC146945
0.787	Intermediate Similarity	NPC14634
0.7857	Intermediate Similarity	NPC470257
0.7857	Intermediate Similarity	NPC20192
0.7851	Intermediate Similarity	NPC473253
0.7851	Intermediate Similarity	NPC473265
0.7851	Intermediate Similarity	NPC470882
0.7845	Intermediate Similarity	NPC472934
0.7838	Intermediate Similarity	NPC469746
0.7838	Intermediate Similarity	NPC220229
0.7838	Intermediate Similarity	NPC475060
0.7838	Intermediate Similarity	NPC58370
0.7838	Intermediate Similarity	NPC43285
0.7826	Intermediate Similarity	NPC470953
0.7826	Intermediate Similarity	NPC247069
0.7826	Intermediate Similarity	NPC243354
0.7818	Intermediate Similarity	NPC202793
0.7818	Intermediate Similarity	NPC28656
0.7815	Intermediate Similarity	NPC269642
0.781	Intermediate Similarity	NPC196485
0.781	Intermediate Similarity	NPC111015
0.781	Intermediate Similarity	NPC245972
0.7807	Intermediate Similarity	NPC473352
0.7807	Intermediate Similarity	NPC71348
0.7798	Intermediate Similarity	NPC475803
0.7798	Intermediate Similarity	NPC308726
0.7798	Intermediate Similarity	NPC272472
0.7798	Intermediate Similarity	NPC309388
0.7798	Intermediate Similarity	NPC185530
0.7798	Intermediate Similarity	NPC119601
0.7797	Intermediate Similarity	NPC112038
0.7788	Intermediate Similarity	NPC185936
0.7788	Intermediate Similarity	NPC235077
0.7788	Intermediate Similarity	NPC76084
0.7788	Intermediate Similarity	NPC42776
0.7788	Intermediate Similarity	NPC168027
0.7778	Intermediate Similarity	NPC218383
0.7778	Intermediate Similarity	NPC17772
0.7778	Intermediate Similarity	NPC327431
0.7778	Intermediate Similarity	NPC474720
0.7778	Intermediate Similarity	NPC55503
0.7778	Intermediate Similarity	NPC156324
0.7778	Intermediate Similarity	NPC144956
0.7778	Intermediate Similarity	NPC110149
0.7778	Intermediate Similarity	NPC46761
0.7778	Intermediate Similarity	NPC154072
0.7778	Intermediate Similarity	NPC251310
0.7768	Intermediate Similarity	NPC89860
0.7768	Intermediate Similarity	NPC217201
0.7768	Intermediate Similarity	NPC189663
0.7768	Intermediate Similarity	NPC293850
0.7768	Intermediate Similarity	NPC177064
0.7759	Intermediate Similarity	NPC270958
0.7757	Intermediate Similarity	NPC273269
0.7757	Intermediate Similarity	NPC477267
0.7757	Intermediate Similarity	NPC477268
0.7757	Intermediate Similarity	NPC472690
0.7757	Intermediate Similarity	NPC472689
0.7757	Intermediate Similarity	NPC18319
0.7757	Intermediate Similarity	NPC43747
0.7757	Intermediate Similarity	NPC69385
0.7748	Intermediate Similarity	NPC85829
0.7748	Intermediate Similarity	NPC302607
0.7748	Intermediate Similarity	NPC319077
0.7748	Intermediate Similarity	NPC50692
0.7748	Intermediate Similarity	NPC260268
0.7748	Intermediate Similarity	NPC171137
0.7748	Intermediate Similarity	NPC152695
0.7748	Intermediate Similarity	NPC214264
0.7748	Intermediate Similarity	NPC296945
0.7748	Intermediate Similarity	NPC85529
0.7748	Intermediate Similarity	NPC150531
0.7748	Intermediate Similarity	NPC51452
0.7748	Intermediate Similarity	NPC476027
0.7748	Intermediate Similarity	NPC32006
0.7748	Intermediate Similarity	NPC257353
0.7748	Intermediate Similarity	NPC48733
0.7748	Intermediate Similarity	NPC49958
0.7748	Intermediate Similarity	NPC202167
0.7748	Intermediate Similarity	NPC97202
0.7748	Intermediate Similarity	NPC181357
0.7748	Intermediate Similarity	NPC37600
0.7748	Intermediate Similarity	NPC149047
0.7745	Intermediate Similarity	NPC272039
0.7745	Intermediate Similarity	NPC220930
0.7739	Intermediate Similarity	NPC202889
0.7739	Intermediate Similarity	NPC208998
0.7739	Intermediate Similarity	NPC108721
0.7739	Intermediate Similarity	NPC7921
0.7739	Intermediate Similarity	NPC317210
0.7739	Intermediate Similarity	NPC73300
0.7739	Intermediate Similarity	NPC962
0.7739	Intermediate Similarity	NPC52634
0.7739	Intermediate Similarity	NPC472929
0.7736	Intermediate Similarity	NPC472485
0.7736	Intermediate Similarity	NPC472932
0.7731	Intermediate Similarity	NPC472001
0.7731	Intermediate Similarity	NPC46570
0.7727	Intermediate Similarity	NPC216114
0.7727	Intermediate Similarity	NPC236390
0.7727	Intermediate Similarity	NPC95899
0.7727	Intermediate Similarity	NPC131366
0.7727	Intermediate Similarity	NPC55872
0.7727	Intermediate Similarity	NPC111323
0.7724	Intermediate Similarity	NPC470880
0.7723	Intermediate Similarity	NPC36350
0.7719	Intermediate Similarity	NPC231589
0.7719	Intermediate Similarity	NPC201992
0.7719	Intermediate Similarity	NPC214797
0.7719	Intermediate Similarity	NPC56025
0.7719	Intermediate Similarity	NPC118860
0.7712	Intermediate Similarity	NPC476960
0.7712	Intermediate Similarity	NPC470777
0.7712	Intermediate Similarity	NPC475041
0.7706	Intermediate Similarity	NPC295276
0.7706	Intermediate Similarity	NPC472924
0.7706	Intermediate Similarity	NPC39683
0.7706	Intermediate Similarity	NPC302537
0.7706	Intermediate Similarity	NPC81530
0.7706	Intermediate Similarity	NPC163372
0.7706	Intermediate Similarity	NPC470184
0.7699	Intermediate Similarity	NPC252679
0.7699	Intermediate Similarity	NPC304495
0.7699	Intermediate Similarity	NPC258543
0.7699	Intermediate Similarity	NPC11710
0.7699	Intermediate Similarity	NPC241927
0.7699	Intermediate Similarity	NPC250018
0.7699	Intermediate Similarity	NPC469744
0.7699	Intermediate Similarity	NPC118721
0.7692	Intermediate Similarity	NPC287343
0.7692	Intermediate Similarity	NPC97908
0.7692	Intermediate Similarity	NPC470854
0.7692	Intermediate Similarity	NPC122033
0.7692	Intermediate Similarity	NPC100313
0.7692	Intermediate Similarity	NPC474654
0.7686	Intermediate Similarity	NPC473255
0.7686	Intermediate Similarity	NPC476729
0.7686	Intermediate Similarity	NPC24651
0.7685	Intermediate Similarity	NPC474793
0.7685	Intermediate Similarity	NPC222011
0.7679	Intermediate Similarity	NPC202524

Similar Clinical/Approved Drugs

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

● The left chart: Distribution of similarity level between NPC470615 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	165
0.1-0.2	1427
0.2-0.3	3803
0.3-0.4	2495
0.4-0.5	760
0.5-0.6	238
0.6-0.7	156
0.7-0.8	117
0.8-0.85	0
0.85-0.9	0
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.7963	Intermediate Similarity	NPD5211	Phase 2
0.7925	Intermediate Similarity	NPD4755	Approved
0.7818	Intermediate Similarity	NPD5141	Approved
0.7788	Intermediate Similarity	NPD4634	Approved
0.7778	Intermediate Similarity	NPD5285	Approved
0.7778	Intermediate Similarity	NPD5286	Approved
0.7778	Intermediate Similarity	NPD4700	Approved
0.7778	Intermediate Similarity	NPD4696	Approved
0.7748	Intermediate Similarity	NPD6402	Approved
0.7748	Intermediate Similarity	NPD7128	Approved
0.7748	Intermediate Similarity	NPD5739	Approved
0.7748	Intermediate Similarity	NPD6675	Approved
0.7706	Intermediate Similarity	NPD5223	Approved
0.7679	Intermediate Similarity	NPD5697	Approved
0.7679	Intermediate Similarity	NPD5701	Approved
0.7647	Intermediate Similarity	NPD6059	Approved
0.7647	Intermediate Similarity	NPD6319	Approved
0.7647	Intermediate Similarity	NPD6054	Approved
0.7636	Intermediate Similarity	NPD5226	Approved
0.7636	Intermediate Similarity	NPD5225	Approved
0.7636	Intermediate Similarity	NPD4633	Approved
0.7636	Intermediate Similarity	NPD5224	Approved
0.7611	Intermediate Similarity	NPD6881	Approved
0.7611	Intermediate Similarity	NPD6899	Approved
0.7611	Intermediate Similarity	NPD7320	Approved
0.7611	Intermediate Similarity	NPD6011	Approved
0.7586	Intermediate Similarity	NPD4632	Approved
0.7583	Intermediate Similarity	NPD6015	Approved
0.7583	Intermediate Similarity	NPD6016	Approved
0.7568	Intermediate Similarity	NPD5175	Approved
0.7568	Intermediate Similarity	NPD4754	Approved
0.7568	Intermediate Similarity	NPD5174	Approved
0.7544	Intermediate Similarity	NPD6012	Approved
0.7544	Intermediate Similarity	NPD6014	Approved
0.7544	Intermediate Similarity	NPD6372	Approved
0.7544	Intermediate Similarity	NPD6373	Approved
0.7544	Intermediate Similarity	NPD6013	Approved
0.7521	Intermediate Similarity	NPD5988	Approved
0.7521	Intermediate Similarity	NPD6370	Approved
0.75	Intermediate Similarity	NPD5222	Approved
0.75	Intermediate Similarity	NPD4697	Phase 3
0.75	Intermediate Similarity	NPD5220	Clinical (unspecified phase)
0.75	Intermediate Similarity	NPD5221	Approved
0.7478	Intermediate Similarity	NPD6883	Approved
0.7478	Intermediate Similarity	NPD7290	Approved
0.7478	Intermediate Similarity	NPD7102	Approved
0.7434	Intermediate Similarity	NPD4768	Approved
0.7434	Intermediate Similarity	NPD4767	Approved
0.7434	Intermediate Similarity	NPD6008	Approved
0.7431	Intermediate Similarity	NPD5173	Approved
0.7429	Intermediate Similarity	NPD5328	Approved
0.7429	Intermediate Similarity	NPD4753	Phase 2
0.7414	Intermediate Similarity	NPD6869	Approved
0.7414	Intermediate Similarity	NPD8130	Phase 1
0.7414	Intermediate Similarity	NPD6617	Approved
0.7414	Intermediate Similarity	NPD6649	Approved
0.7414	Intermediate Similarity	NPD6650	Approved
0.7414	Intermediate Similarity	NPD6401	Clinical (unspecified phase)
0.7414	Intermediate Similarity	NPD6847	Approved
0.7407	Intermediate Similarity	NPD5210	Approved
0.7407	Intermediate Similarity	NPD4629	Approved
0.7398	Intermediate Similarity	NPD7492	Approved
0.7395	Intermediate Similarity	NPD6009	Approved
0.7383	Intermediate Similarity	NPD4202	Approved
0.7368	Intermediate Similarity	NPD6412	Phase 2
0.7364	Intermediate Similarity	NPD5696	Approved
0.736	Intermediate Similarity	NPD7736	Approved
0.735	Intermediate Similarity	NPD8297	Approved
0.735	Intermediate Similarity	NPD6882	Approved
0.7339	Intermediate Similarity	NPD6616	Approved
0.7304	Intermediate Similarity	NPD4729	Approved
0.7304	Intermediate Similarity	NPD5128	Approved
0.7304	Intermediate Similarity	NPD4730	Approved
0.7295	Intermediate Similarity	NPD5983	Phase 2
0.729	Intermediate Similarity	NPD6079	Approved
0.7282	Intermediate Similarity	NPD3666	Approved
0.7282	Intermediate Similarity	NPD3665	Phase 1
0.7282	Intermediate Similarity	NPD3133	Approved
0.728	Intermediate Similarity	NPD7078	Approved
0.728	Intermediate Similarity	NPD8293	Discontinued
0.7273	Intermediate Similarity	NPD6084	Phase 2
0.7273	Intermediate Similarity	NPD6083	Phase 2
0.7248	Intermediate Similarity	NPD5695	Phase 3
0.7222	Intermediate Similarity	NPD6033	Approved
0.7179	Intermediate Similarity	NPD5251	Approved
0.7179	Intermediate Similarity	NPD5250	Approved
0.7179	Intermediate Similarity	NPD5248	Approved
0.7179	Intermediate Similarity	NPD5134	Clinical (unspecified phase)
0.7179	Intermediate Similarity	NPD5247	Approved
0.7179	Intermediate Similarity	NPD5249	Phase 3
0.7179	Intermediate Similarity	NPD5135	Approved
0.7179	Intermediate Similarity	NPD5169	Approved
0.7177	Intermediate Similarity	NPD7604	Phase 2
0.7177	Intermediate Similarity	NPD8328	Phase 3
0.7167	Intermediate Similarity	NPD6274	Approved
0.7156	Intermediate Similarity	NPD5282	Discontinued
0.7143	Intermediate Similarity	NPD7640	Approved
0.7143	Intermediate Similarity	NPD3618	Phase 1
0.7143	Intermediate Similarity	NPD7639	Approved
0.7143	Intermediate Similarity	NPD5279	Phase 3
0.7119	Intermediate Similarity	NPD5217	Approved
0.7119	Intermediate Similarity	NPD5216	Approved
0.7119	Intermediate Similarity	NPD5215	Approved
0.7119	Intermediate Similarity	NPD5127	Approved
0.7115	Intermediate Similarity	NPD4786	Approved
0.7115	Intermediate Similarity	NPD4197	Approved
0.7107	Intermediate Similarity	NPD6317	Approved
0.7087	Intermediate Similarity	NPD3667	Approved
0.7064	Intermediate Similarity	NPD6399	Phase 3
0.7063	Intermediate Similarity	NPD6336	Discontinued
0.7059	Intermediate Similarity	NPD6053	Discontinued
0.7054	Intermediate Similarity	NPD7638	Approved
0.7049	Intermediate Similarity	NPD6313	Approved
0.7049	Intermediate Similarity	NPD6314	Approved
0.7049	Intermediate Similarity	NPD6335	Approved
0.7048	Intermediate Similarity	NPD5329	Approved
0.7031	Intermediate Similarity	NPD7319	Approved
0.6992	Remote Similarity	NPD7100	Approved
0.6992	Remote Similarity	NPD7101	Approved
0.6981	Remote Similarity	NPD5280	Approved
0.6981	Remote Similarity	NPD4694	Approved
0.6981	Remote Similarity	NPD5690	Phase 2
0.6967	Remote Similarity	NPD7115	Discovery
0.6967	Remote Similarity	NPD8295	Clinical (unspecified phase)
0.6942	Remote Similarity	NPD5167	Approved
0.6929	Remote Similarity	NPD7507	Approved
0.6923	Remote Similarity	NPD4221	Approved
0.6923	Remote Similarity	NPD4223	Phase 3
0.6893	Remote Similarity	NPD4695	Discontinued
0.688	Remote Similarity	NPD6908	Approved
0.688	Remote Similarity	NPD6291	Clinical (unspecified phase)
0.688	Remote Similarity	NPD6909	Approved
0.6864	Remote Similarity	NPD5168	Approved
0.6863	Remote Similarity	NPD3617	Approved
0.6852	Remote Similarity	NPD7513	Clinical (unspecified phase)
0.6852	Remote Similarity	NPD6672	Approved
0.6852	Remote Similarity	NPD5737	Approved
0.6847	Remote Similarity	NPD7748	Approved
0.6822	Remote Similarity	NPD7334	Approved
0.6822	Remote Similarity	NPD7146	Approved
0.6822	Remote Similarity	NPD6409	Approved
0.6822	Remote Similarity	NPD6684	Approved
0.6822	Remote Similarity	NPD7521	Approved
0.6822	Remote Similarity	NPD5330	Approved
0.6822	Remote Similarity	NPD3574	Clinical (unspecified phase)
0.6818	Remote Similarity	NPD7515	Phase 2
0.6818	Remote Similarity	NPD5693	Phase 1
0.6814	Remote Similarity	NPD7902	Approved
0.6794	Remote Similarity	NPD7260	Phase 2
0.6789	Remote Similarity	NPD6673	Approved
0.6789	Remote Similarity	NPD6080	Approved
0.6789	Remote Similarity	NPD6904	Approved
0.6748	Remote Similarity	NPD6868	Approved
0.6741	Remote Similarity	NPD6333	Approved
0.6741	Remote Similarity	NPD6334	Approved
0.6727	Remote Similarity	NPD5692	Phase 3
0.6724	Remote Similarity	NPD7632	Discontinued
0.6723	Remote Similarity	NPD5345	Clinical (unspecified phase)
0.672	Remote Similarity	NPD4522	Approved
0.6698	Remote Similarity	NPD4788	Approved
0.6697	Remote Similarity	NPD6903	Approved
0.6667	Remote Similarity	NPD4690	Approved
0.6667	Remote Similarity	NPD5205	Approved
0.6667	Remote Similarity	NPD4138	Approved
0.6667	Remote Similarity	NPD5694	Approved
0.6667	Remote Similarity	NPD5284	Approved
0.6667	Remote Similarity	NPD4688	Approved
0.6667	Remote Similarity	NPD6411	Approved
0.6667	Remote Similarity	NPD4689	Approved
0.6667	Remote Similarity	NPD4693	Phase 3
0.6667	Remote Similarity	NPD6050	Approved
0.6667	Remote Similarity	NPD5281	Approved
0.6636	Remote Similarity	NPD3668	Phase 3
0.6617	Remote Similarity	NPD6845	Suspended
0.6607	Remote Similarity	NPD5778	Approved
0.6607	Remote Similarity	NPD5779	Approved
0.6606	Remote Similarity	NPD4751	Clinical (unspecified phase)
0.6606	Remote Similarity	NPD3573	Approved
0.6591	Remote Similarity	NPD5956	Approved
0.6581	Remote Similarity	NPD5091	Approved
0.6549	Remote Similarity	NPD7900	Approved
0.6549	Remote Similarity	NPD7901	Clinical (unspecified phase)
0.6529	Remote Similarity	NPD4061	Clinical (unspecified phase)
0.6518	Remote Similarity	NPD8035	Phase 2
0.6518	Remote Similarity	NPD8034	Phase 2
0.6514	Remote Similarity	NPD6098	Approved
0.6512	Remote Similarity	NPD6067	Discontinued
0.6505	Remote Similarity	NPD3701	Clinical (unspecified phase)
0.6491	Remote Similarity	NPD6356	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD6101	Approved
0.6486	Remote Similarity	NPD7285	Clinical (unspecified phase)
0.6486	Remote Similarity	NPD5764	Clinical (unspecified phase)
0.6484	Remote Similarity	NPD8033	Approved
0.6475	Remote Similarity	NPD6371	Approved
0.6466	Remote Similarity	NPD4225	Approved
0.646	Remote Similarity	NPD5133	Approved
0.6452	Remote Similarity	NPD8133	Approved
0.6446	Remote Similarity	NPD6686	Approved
0.6429	Remote Similarity	NPD5785	Approved
0.6422	Remote Similarity	NPD7520	Clinical (unspecified phase)

Structure

NPC470615 OpenBabel07101718242D 25 29 0 0 1 0 0 0 0 0999 V2000 2.2601 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3997 -1.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 -1.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2172 1.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7148 1.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.9511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6182 0.3693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8653 0.3880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 -0.6827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6397 -1.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -0.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0108 -0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -1.0520 0.0000 C 0 0 0 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 -1.2471 0.0187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8503 1.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 -2.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5878 -0.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -1.2329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -1.0520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 10 4 1 1 0 0 0 11 19 1 6 0 0 0 11 20 1 0 0 0 0 12 20 1 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 25 1 6 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 1 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 24 2 0 0 0 0 19 7 1 6 0 0 0 20 8 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	60154786
ChEMBL	CHEMBL2088265
ZINC

Physicochemical Properties

Molecular Weight:	344.16
ALogP:	-0.4054
MLogP:	3.11
XLogP:	0.247
# Rotatable Bonds:	4
Polar Surface Area:	83.83
# H-Bond Aceptor:	5
# H-Bond Donor:	2
# Rings:	3
# Heavy Atoms:	25

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