CFam Chemical Families Database
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You are searching for "CFAMM00441686" in compound.

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CFAM Mol ID CFAMM00441686
Family CFFBM17296 Melanocortin receptor 4 ligand 2-amino-N-[(2R)-3-(2,4-dichlorophenyl)-1-[4-[2-[(1R)-1-hydroxy-3-methylbutyl]phenyl]piperazin-1-yl]-1-oxopropan-2-yl]acetamide family
Superfamily CFSBM6021 Melanocortin receptor 4 and C-C chemokine receptor type 1 Binder Superfamily
Class CFCAD703 Class 703
External ID CHEMBL462379 External Source CHEMBL
PubChem CID 44562363 Functional Category Bioactive
Molecule Name (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-2-(3-methylsulfanylpropylamino)propan-1-one
IUPAC Name (2R)-3-(2,4-dichlorophenyl)-1-[4-[2-(1-hydroxy-3-methylbutyl)phenyl]piperazin-1-yl]-2-(3-methylsulfanylpropylamino)propan-1-one
Synonyms CHEBI:551444
InChi InChI=1S/C28H39Cl2N3O2S/c1-20(2)17-27(34)23-7-4-5-8-26(23)32-12-14-33(15-13-32)28(35)25(31-11-6-16-36-3)18-21-9-10-22(29)19-24(21)30/h4-5,7-10,19-20,25,27,31,34H,6,11-18H2,1-3H3/t25-,27?/m1/s1
InChiKey NQMSNOOJBWWGON-CSMDKSQMSA-N
Formula C28H39Cl2N3O2S Molecular Weight 552.60
Cross Link CHEMBL462379
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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