CFam Chemical Families Database
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You are searching for "CFAMM00306676" in compound.

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CFAM Mol ID CFAMM00306676
Family CFFBM69 Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(methylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid family
Superfamily CFSBM49 Integrin beta-1 and Integrin alpha-4 Binder Superfamily
Class CFCBM19 Class 3069
External ID CHEMBL428493 External Source CHEMBL
PubChem CID 44266083 Functional Category Bioactive
Molecule Name (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(2-methylpropylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
IUPAC Name (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[2-(2-methylpropylamino)-3,4-dioxocyclobuten-1-yl]amino]propanoic acid
Synonyms CHEBI:105747
InChi InChI=1S/C23H22Cl2N4O5/c1-11(2)8-27-18-19(21(31)20(18)30)29-16(23(33)34)7-12-3-5-13(6-4-12)28-22(32)17-14(24)9-26-10-15(17)25/h3-6,9-11,16,30-31H,7-8H2,1-2H3,(H,28,32)(H,33,34)/b27-18-,29-19-/t16-/m0/s1
InChiKey WLAAYHAUMYPKQO-XCWBOAQFSA-N
Formula C23H22Cl2N4O5 Molecular Weight 505.35
Cross Link CHEMBL428493
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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