CFAM Mol ID	CFAMM00413265
Family	CFFBM12007 Renin inhibitor (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-1-phenylpropyl]piperidine-3-carboxamide family
Superfamily	CFSID41 C-C chemokine receptor type 5 Ligand Tak-220 Superfamily
Class	CFCID25 Class 1375
External ID	CHEMBL2204017	External Source	CHEMBL
PubChem CID	60162473	Functional Category	Bioactive
Molecule Name	(E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
IUPAC Name	(E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
Synonyms
InChi	InChI=1S/C29H39ClN4O2.C4H4O4/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30;5-3(6)1-2-4(7)8/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t22-,23+,25+;/m0./s1
InChiKey	RLTRHXLSYYFZQH-XERDAYCXSA-N
Formula	C33H43ClN4O6	Molecular Weight	627.17
Cross Link	CHEMBL2204017
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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