CFam Chemical Families Database
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You are searching for "CFAMM00375654" in compound.

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CFAM Mol ID CFAMM00375654
Family CFFBM6910 Dipeptidyl peptidase 4 inhibitor SureCN1499864 family
Superfamily CFSBM3955 Caspase-3 and Pol polyprotein Binder Superfamily
Class CFCID714 Class 2064
External ID CHEMBL1683505 External Source CHEMBL
PubChem CID 25054808 Functional Category Bioactive
Molecule Name ethyl 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]anilino]-3-methylbutanoate;hydrochloride
IUPAC Name ethyl 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]anilino]-3-methylbutanoate;hydrochloride
Synonyms CHEBI:1173623
InChi InChI=1S/C28H35F3N4O4S.ClH/c1-4-39-28(38)25(16(2)3)34-20-7-5-17(6-8-20)15-33-26(37)27-35(9-10-40-27)24(36)13-19(32)11-18-12-22(30)23(31)14-21(18)29;/h5-8,12,14,16,19,25,27,34H,4,9-11,13,15,32H2,1-3H3,(H,33,37);1H/t19-,25?,27?;/m1./s1
InChiKey SMZQAMWQTGREOW-DRJRLWMOSA-N
Formula C28H36ClF3N4O4S Molecular Weight 617.12
Cross Link CHEMBL1683505
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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