CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00219175" 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 CFAMM00219175
Family CFFID823 Macrophage metalloelastase Inhibitor PF-00356231 Family
Superfamily CFSID676 Macrophage metalloelastase Inhibitor PF-00356231 Superfamily
Class CFCID477 Class 1827
External ID CHEMBL161476 External Source CHEMBL
PubChem CID 44375877 Functional Category Bioactive
Molecule Name (2S)-2-[[2-(2-methylphenyl)-4-[(E)-2-pyrazin-2-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
IUPAC Name (2S)-2-[[2-(2-methylphenyl)-4-[(E)-2-pyrazin-2-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid
Synonyms CHEBI:370169
InChi InChI=1S/C25H25N3O3S/c1-17-5-3-4-6-20(17)22-15-18(7-9-19-16-26-12-13-27-19)8-10-21(22)24(29)28-23(25(30)31)11-14-32-2/h3-10,12-13,15-16,23H,11,14H2,1-2H3,(H,28,29)(H,30,31)/b9-7+/t23-/m0/s1
InChiKey NNWWMMNANLBUAQ-WCYCAPIHSA-N
Formula C25H25N3O3S Molecular Weight 447.55
Cross Link CHEMBL161476
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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