CFam Chemical Families Database
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You are searching for "CFAMM00383034" in compound.

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CFAM Mol ID CFAMM00383034
Family CFFBM7784 Melanocortin receptor 4 and Melanocortin receptor 5 ligand (2S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-(2-methylpropyl)piperazine-2-carboxamide;2,2,2-trifluoroacetic acid family
Superfamily CFSBM4285 Histamine H3 receptor and Melanocortin receptor 4 Binder Superfamily
Class CFCBM181 Class 3231
External ID CHEMBL534928 External Source CHEMBL
PubChem CID 45263253 Functional Category Bioactive
Molecule Name (2S,5S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-propan-2-ylpiperazine-2-carboxamide;dihydrochloride
IUPAC Name (2S,5S)-N-[(2R)-1-[4-(tert-butylcarbamoyl)-4-cyclohexylpiperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-propan-2-ylpiperazine-2-carboxamide;dihydrochloride
Synonyms
InChi InChI=1S/C33H52FN5O3.2ClH/c1-22(2)27-20-36-28(21-35-27)29(40)37-26(19-23-11-13-25(34)14-12-23)30(41)39-17-15-33(16-18-39,24-9-7-6-8-10-24)31(42)38-32(3,4)5;;/h11-14,22,24,26-28,35-36H,6-10,15-21H2,1-5H3,(H,37,40)(H,38,42);2*1H/t26-,27-,28+;;/m1../s1
InChiKey OPCVENRLNSEHOK-PWSSFSMVSA-N
Formula C33H54Cl2FN5O3 Molecular Weight 658.72
Cross Link CHEMBL534928
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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