CFam Chemical Families Database
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You are searching for "CFAMM00369902" 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 CFAMM00369902
Family CFFBM6112 Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6368456 family
Superfamily CFSBM3534 Integrin beta-1 and Integrin alpha-4 Binder Superfamily 3
Class CFCID1105 Class 2455
External ID CHEMBL40295 External Source CHEMBL
PubChem CID 20793912 Functional Category Bioactive
Molecule Name SureCN6373364
IUPAC Name (2S)-3-(4-benzoyloxyphenyl)-2-[[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
Synonyms CHEBI:162342
InChi InChI=1S/C27H24Cl2N2O7S/c28-19-14-20(29)16-22(15-19)39(36,37)31-12-4-7-24(31)25(32)30-23(26(33)34)13-17-8-10-21(11-9-17)38-27(35)18-5-2-1-3-6-18/h1-3,5-6,8-11,14-16,23-24H,4,7,12-13H2,(H,30,32)(H,33,34)/t23-,24-/m0/s1
InChiKey IAXOAOUFMTWSPG-ZEQRLZLVSA-N
Formula C27H24Cl2N2O7S Molecular Weight 591.46
Cross Link CHEMBL40295
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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