CFam Chemical Families Database
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You are searching for "CFAMM00375659" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00375659
Family CFFBM6910 Dipeptidyl peptidase 4 inhibitor SureCN1499864 family
Superfamily CFSBM3955 Caspase-3 and Pol polyprotein Binder Superfamily
Class CFCID714 Class 2064
External ID CHEMBL1683501 External Source CHEMBL
PubChem CID 25055303 Functional Category Bioactive
Molecule Name SureCN3614499
IUPAC Name ethyl 2-[4-[[[3-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,3-thiazolidine-2-carbonyl]amino]methyl]-N-methylanilino]-3-methylbutanoate;hydrochloride
Synonyms CHEBI:1173619
InChi InChI=1S/C29H37F3N4O4S.ClH/c1-5-40-29(39)26(17(2)3)35(4)21-8-6-18(7-9-21)16-34-27(38)28-36(10-11-41-28)25(37)14-20(33)12-19-13-23(31)24(32)15-22(19)30;/h6-9,13,15,17,20,26,28H,5,10-12,14,16,33H2,1-4H3,(H,34,38);1H/t20-,26?,28?;/m1./s1
InChiKey BZBIAWBKMFQBPC-BWABLSJJSA-N
Formula C29H38ClF3N4O4S Molecular Weight 631.15
Cross Link CHEMBL1683501
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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