CFam Chemical Families Database
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You are searching for "CFAMM00411303" in compound.

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CFAM Mol ID CFAMM00411303
Family CFFBM11713 Cathepsin K and Cathepsin S inhibitor (1R,2R)-N-(1-cyanocyclopropyl)-2-[(2R)-4-(3,4-dimethoxyphenyl)-2-methylpiperazine-1-carbonyl]cyclohexane-1-carboxamide family
Superfamily CFSBM5561 Cathepsin K and Cathepsin S Binder Superfamily 14
Class CFCCD537 Class 1350
External ID CHEMBL2171988 External Source CHEMBL
PubChem CID 71457065 Functional Category Bioactive
Molecule Name (1R,2R)-N-(cyanomethyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
IUPAC Name (1R,2R)-N-(cyanomethyl)-2-[4-(3,4-dimethoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
Synonyms
InChi InChI=1S/C22H30N4O4/c1-29-19-8-7-16(15-20(19)30-2)25-11-13-26(14-12-25)22(28)18-6-4-3-5-17(18)21(27)24-10-9-23/h7-8,15,17-18H,3-6,10-14H2,1-2H3,(H,24,27)/t17-,18-/m1/s1
InChiKey BPVVNBZGAODJNC-QZTJIDSGSA-N
Formula C22H30N4O4 Molecular Weight 414.50
Cross Link CHEMBL2171988
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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