CFam Chemical Families Database
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You are searching for "CFAMM00479625" 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 CFAMM00479625
Family CFFBM26644 Metabotropic glutamate receptor 2 ligand AGN-PC-03PQDX family
Superfamily CFSBM10332 Metabotropic glutamate receptor 2 ligand AGN-PC-03PQDX Superfamily
Class CFCCD386 Class 1199
External ID CHEMBL237944 External Source CHEMBL
PubChem CID 22224822 Functional Category Bioactive
Molecule Name AGN-PC-03ME7T
IUPAC Name 3-[8-[2-(4-methoxyphenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile
Synonyms SureCN5869019;CHEBI:500162;3-[8-[2-(4-methoxyphenyl)ethynyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile
InChi InChI=1S/C25H17N3O2/c1-30-21-10-7-17(8-11-21)5-6-18-9-12-22-24(14-18)28-25(29)15-23(27-22)20-4-2-3-19(13-20)16-26/h2-4,7-14H,15H2,1H3,(H,28,29)
InChiKey YQCISTWYORXBED-UHFFFAOYSA-N
Formula C25H17N3O2 Molecular Weight 391.42
Cross Link CHEMBL237944
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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