CFam Chemical Families Database
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You are searching for "CFAMM00313592" in compound.

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CFAM Mol ID CFAMM00313592
Family CFFBM599 Cathepsin K inhibitor [(3S)-4,4-dimethyl-2-oxo-1-(2-phenylethylcarbamoyl)pyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate family
Superfamily CFSBM360 Cathepsin K and Cathepsin S Binder Superfamily 4
Class CFCCD46 Class 859
External ID CHEMBL183686 External Source CHEMBL
PubChem CID 11441440 Functional Category Bioactive
Molecule Name (1-ethylcyclopentyl)methyl N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
IUPAC Name (1-ethylcyclopentyl)methyl N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms CHEBI:407358
InChi InChI=1S/C24H36N2O4/c1-4-6-14-20(26-23(29)30-17-24(5-2)15-10-11-16-24)21(27)22(28)25-18(3)19-12-8-7-9-13-19/h7-9,12-13,18,20H,4-6,10-11,14-17H2,1-3H3,(H,25,28)(H,26,29)/t18-,20+/m1/s1
InChiKey OCXWPKBDRNTJBZ-QUCCMNQESA-N
Formula C24H36N2O4 Molecular Weight 416.55
Cross Link CHEMBL183686
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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