CFam Chemical Families Database
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You are searching for "CFAMM00306663" in compound.

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CFAM Mol ID CFAMM00306663
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 CHEMBL9891 External Source CHEMBL
PubChem CID 44266115 Functional Category Bioactive
Molecule Name (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(prop-2-enylamino)cyclobuten-1-yl]amino]propanoic acid
IUPAC Name (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[[3,4-dioxo-2-(prop-2-enylamino)cyclobuten-1-yl]amino]propanoic acid
Synonyms CHEBI:105822
InChi InChI=1S/C22H18Cl2N4O5/c1-2-7-26-17-18(20(30)19(17)29)28-15(22(32)33)8-11-3-5-12(6-4-11)27-21(31)16-13(23)9-25-10-14(16)24/h2-6,9-10,15,29-30H,1,7-8H2,(H,27,31)(H,32,33)/b26-17-,28-18-/t15-/m0/s1
InChiKey PQDIJZIJCHDYMZ-RGSASCSGSA-N
Formula C22H18Cl2N4O5 Molecular Weight 489.31
Cross Link CHEMBL9891
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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