CFAM Mol ID	CFAMM00440033
Family	CFFBM16969 Melanocortin receptor 4 ligand N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-[ethyl(methylsulfonyl)amino]ethyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-2-carboxamide family
Superfamily	CFSBM1053 Prothrombin and Coagulation factor X Binder Superfamily 4
Class	CFCCD100 Class 913
External ID	CHEMBL425609	External Source	CHEMBL
PubChem CID	44412758	Functional Category	Bioactive
Molecule Name	N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-[ethyl(methylsulfonyl)amino]ethyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-2-carboxamide
IUPAC Name	N-[(2R)-3-(4-chlorophenyl)-1-[4-[1-cyclohexyl-2-[ethyl(methylsulfonyl)amino]ethyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-2-carboxamide
Synonyms	CHEBI:450620
InChi	InChI=1S/C33H44ClN5O4S/c1-3-39(44(2,42)43)24-31(26-9-5-4-6-10-26)36-17-19-37(20-18-36)32(40)30(21-25-13-15-29(34)16-14-25)35-33(41)38-22-27-11-7-8-12-28(27)23-38/h7-8,11-16,22-23,26,30-31H,3-6,9-10,17-21,24H2,1-2H3,(H,35,41)/t30-,31?/m1/s1
InChiKey	CZGXJDGUNUQNIZ-PBBFAOSKSA-N
Formula	C33H44ClN5O4S	Molecular Weight	642.25
Cross Link	CHEMBL425609
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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