CFam Chemical Families Database
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You are searching for "CFAMM00310384" in compound.

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CFAM Mol ID CFAMM00310384
Family CFFBM332 Cathepsin K inhibitor [(3S)-4,4-dimethyl-1-(naphthalene-2-carbonyl)-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate family
Superfamily CFSID1755 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 6
Class CFCCD71 Class 884
External ID CHEMBL194068 External Source CHEMBL
PubChem CID 11502586 Functional Category Bioactive
Molecule Name SureCN8354383
IUPAC Name [(3S)-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms CHEBI:425639
InChi InChI=1S/C22H31N3O5/c1-5-6-12-16(25-21(29)30-18-20(28)23-13-22(18,3)4)17(26)19(27)24-14(2)15-10-8-7-9-11-15/h7-11,14,16,18H,5-6,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,29)/t14-,16+,18-/m1/s1
InChiKey CPDXLXNCBNKLMG-UWWQBHOKSA-N
Formula C22H31N3O5 Molecular Weight 417.50
Cross Link CHEMBL194068
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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