CFam Chemical Families Database
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You are searching for "CFAMM00446900" 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 CFAMM00446900
Family CFFBM18357 Progesterone receptor and Cytochrome P450 2C19 ligand AGN-PC-07C40P family
Superfamily CFSBM1112 Cytochrome P450 2C19 and Progesterone receptor Binder Superfamily
Class CFCBM423 Class 3473
External ID CHEMBL557293 External Source CHEMBL
PubChem CID 45273230 Functional Category Bioactive
Molecule Name AGN-PC-07C6YU
IUPAC Name 2-chloro-4-[(2-chlorophenyl)methyl-[1-(4-methyl-1,2,4-triazol-3-yl)propyl]amino]benzonitrile
Synonyms CHEBI:667202;2-chloro-4-[(2-chlorophenyl)methyl-[1-(4-methyl-1,2,4-triazol-3-yl)propyl]amino]benzonitrile
InChi InChI=1S/C20H19Cl2N5/c1-3-19(20-25-24-13-26(20)2)27(12-15-6-4-5-7-17(15)21)16-9-8-14(11-23)18(22)10-16/h4-10,13,19H,3,12H2,1-2H3
InChiKey PJVZVXZGMSGYOI-UHFFFAOYSA-N
Formula C20H19Cl2N5 Molecular Weight 400.30
Cross Link CHEMBL557293
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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