CFam Chemical Families Database
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You are searching for "CFAMM00427052" in compound.

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CFAM Mol ID CFAMM00427052
Family CFFBM14201 Metabotropic glutamate receptor 2 ligand 8-[2-(4-fluorophenyl)ethynyl]-4-[3-(triazol-1-yl)phenyl]-1,3-dihydro-1,5-benzodiazepin-2-one family
Superfamily CFSBM441 Cathepsin S and Histone deacetylase 6 Binder Superfamily
Class CFCBM169 Class 3219
External ID CHEMBL408229 External Source CHEMBL
PubChem CID 18548824 Functional Category Bioactive
Molecule Name AGN-PC-01XRW4
IUPAC Name 7-methyl-4-[3-(triazol-1-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Synonyms SureCN6433551;CHEBI:529304;7-methyl-4-[3-(triazol-1-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one
InChi InChI=1S/C19H14F3N5O/c1-11-7-16-17(9-14(11)19(20,21)22)25-18(28)10-15(24-16)12-3-2-4-13(8-12)27-6-5-23-26-27/h2-9H,10H2,1H3,(H,25,28)
InChiKey JOYIPFAAAYEHOM-UHFFFAOYSA-N
Formula C19H14F3N5O Molecular Weight 385.34
Cross Link CHEMBL408229
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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