CFam Chemical Families Database
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You are searching for "CFAMM00376683" in compound.

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CFAM Mol ID CFAMM00376683
Family CFFBM7045 Cathepsin K inhibitor [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate family
Superfamily CFSBM4008 Cathepsin K and Cathepsin S Binder Superfamily 8
Class CFCCD46 Class 859
External ID CHEMBL371749 External Source CHEMBL
PubChem CID 44402263 Functional Category Bioactive
Molecule Name [(3S,5R)-3,5-dimethylcyclohexyl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
IUPAC Name [(3S,5R)-3,5-dimethylcyclohexyl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms CHEBI:425779
InChi InChI=1S/C24H36N2O4/c1-5-6-12-21(26-24(29)30-20-14-16(2)13-17(3)15-20)22(27)23(28)25-18(4)19-10-8-7-9-11-19/h7-11,16-18,20-21H,5-6,12-15H2,1-4H3,(H,25,28)(H,26,29)/t16-,17+,18-,20-,21+/m1/s1
InChiKey ZXHXXGCJLDYHEB-QIYLELGZSA-N
Formula C24H36N2O4 Molecular Weight 416.55
Cross Link CHEMBL371749
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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