CFAM Mol ID	CFAMM00248919
Family	CFFID1740 Bifunctional epoxide hydrolase 2 Inhibitor N-(3-chloro-phenyl)-2-cyclohexyl-acetamide Family
Superfamily	CFSID1338 Cruzipain and Bifunctional epoxide hydrolase 2 Binder Superfamily
Class	CFCAD564 Class 564
External ID	CHEMBL209558	External Source	CHEMBL
PubChem CID	44412511	Functional Category	Bioactive
Molecule Name	2-[4-[(2R)-3-(4-chlorophenyl)-2-[[2-(2,3-dihydro-1H-indol-2-yl)acetyl]amino]propanoyl]piperazin-1-yl]-2-cyclohexyl-N,N-diethylacetamide
IUPAC Name	2-[4-[(2R)-3-(4-chlorophenyl)-2-[[2-(2,3-dihydro-1H-indol-2-yl)acetyl]amino]propanoyl]piperazin-1-yl]-2-cyclohexyl-N,N-diethylacetamide
Synonyms	CHEBI:450103
InChi	InChI=1S/C35H48ClN5O3/c1-3-39(4-2)35(44)33(26-10-6-5-7-11-26)40-18-20-41(21-19-40)34(43)31(22-25-14-16-28(36)17-15-25)38-32(42)24-29-23-27-12-8-9-13-30(27)37-29/h8-9,12-17,26,29,31,33,37H,3-7,10-11,18-24H2,1-2H3,(H,38,42)/t29?,31-,33?/m1/s1
InChiKey	SKYATFNOQJVJQZ-GMHFAUKKSA-N
Formula	C35H48ClN5O3	Molecular Weight	622.24
Cross Link	CHEMBL209558
Structure

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

Last update by

2014.08.29

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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