CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00233256" in compound.

Total 1 results found.

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 CFAMM00233256
Family CFFID1250 Integrin beta-3 Inhibitor L-767679 Family
Superfamily CFSID1005 Integrin beta-3 and Integrin alpha-2 Binder Superfamily
Class CFCAD252 Class 252
External ID CHEMBL57094 External Source CHEMBL
PubChem CID 44301363 Functional Category Bioactive
Molecule Name (3S)-4-hydroxy-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid
IUPAC Name (3S)-4-hydroxy-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]butanoic acid
Synonyms CHEBI:191373
InChi InChI=1S/C19H26N4O5/c24-12-14(9-18(26)27)21-17(25)11-23-6-3-13-1-2-15(10-16(13)19(23)28)22-7-4-20-5-8-22/h1-2,10,14,20,24H,3-9,11-12H2,(H,21,25)(H,26,27)/t14-/m0/s1
InChiKey GUPDJDZREMBCHF-AWEZNQCLSA-N
Formula C19H26N4O5 Molecular Weight 390.43
Cross Link CHEMBL57094
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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