CFam Chemical Families Database
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You are searching for "CFAMM00310386" in compound.

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CFAM Mol ID CFAMM00310386
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 CHEMBL206160 External Source CHEMBL
PubChem CID 44409426 Functional Category Bioactive
Molecule Name [(3S)-1-benzoyl-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
IUPAC Name [(3S)-1-benzoyl-4,4-dimethyl-2-oxopyrrolidin-3-yl] N-[(3S)-1,2-dioxo-1-[[(1R)-1-phenylethyl]amino]heptan-3-yl]carbamate
Synonyms CHEBI:442779
InChi InChI=1S/C29H35N3O6/c1-5-6-17-22(23(33)25(34)30-19(2)20-13-9-7-10-14-20)31-28(37)38-24-27(36)32(18-29(24,3)4)26(35)21-15-11-8-12-16-21/h7-16,19,22,24H,5-6,17-18H2,1-4H3,(H,30,34)(H,31,37)/t19-,22+,24-/m1/s1
InChiKey DESIODPKNCTHKC-WNOPAQSVSA-N
Formula C29H35N3O6 Molecular Weight 521.60
Cross Link CHEMBL206160
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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