CFAM Mol ID	CFAMM00386553
Family	CFFBM8244 Melanocortin receptor 4 and Melanocortin receptor 5 ligand AC1OCFVD family
Superfamily	CFSBM4456 Melanocortin receptor 4 and Melanocortin receptor 5 Binder Superfamily 3
Class	CFCBM119 Class 3169
External ID	CHEMBL179836	External Source	CHEMBL
PubChem CID	6918780	Functional Category	Bioactive
Molecule Name	AC1OCFVD
IUPAC Name	(3S)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[methylsulfonyl(propyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Synonyms	CHEBI:402454;LS-193656;(3S)-N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-[methylsulfonyl(propyl)amino]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChi	InChI=1S/C33H40ClN5O4S/c1-3-16-39(44(2,42)43)31-11-7-6-10-30(31)37-17-19-38(20-18-37)33(41)29(21-24-12-14-27(34)15-13-24)36-32(40)28-22-25-8-4-5-9-26(25)23-35-28/h4-15,28-29,35H,3,16-23H2,1-2H3,(H,36,40)/t28-,29+/m0/s1
InChiKey	XMTYQIRCWZBVAL-URLMMPGGSA-N
Formula	C33H40ClN5O4S	Molecular Weight	638.22
Cross Link	CHEMBL179836
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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