CFam Chemical Families Database
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You are searching for "CFAMM00326623" in compound.

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CFAM Mol ID CFAMM00326623
Family CFFBM1711 Kappa-type opioid receptor and Mu-type opioid receptor ligand SureCN6627224 family
Superfamily CFSBM940 Kappa-type opioid receptor and Histamine H3 receptor Binder Superfamily
Class CFCBM369 Class 3419
External ID CHEMBL534930 External Source CHEMBL
PubChem CID 45263273 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-methylpiperazine-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-methylpiperazine-2-carboxamide;dihydrochloride
Synonyms
InChi InChI=1S/C31H48FN5O3.2ClH/c1-21-19-34-26(20-33-21)27(38)35-25(18-22-10-12-24(32)13-11-22)28(39)37-16-14-31(15-17-37,23-8-6-5-7-9-23)29(40)36-30(2,3)4;;/h10-13,21,23,25-26,33-34H,5-9,14-20H2,1-4H3,(H,35,38)(H,36,40);2*1H/t21-,25+,26-;;/m0../s1
InChiKey QSQPOAQIHWOWKW-DQWWOMFWSA-N
Formula C31H50Cl2FN5O3 Molecular Weight 630.66
Cross Link CHEMBL534930
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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