CFam Chemical Families Database
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You are searching for "CFAMM00447118" 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 CFAMM00447118
Family CFFBM18414 Progesterone receptor and Cytochrome P450 2C19 ligand AGN-PC-07C6YU family
Superfamily CFSBM1112 Cytochrome P450 2C19 and Progesterone receptor Binder Superfamily
Class CFCBM423 Class 3473
External ID CHEMBL555562 External Source CHEMBL
PubChem CID 44186998 Functional Category Bioactive
Molecule Name AGN-PC-0727FA
IUPAC Name 2-chloro-4-[(2-chlorophenyl)methyl-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)butyl]amino]benzonitrile
Synonyms CHEBI:661924;2-chloro-4-[(2-chlorophenyl)methyl-[1-(4,5-dimethyl-1,2,4-triazol-3-yl)butyl]amino]benzonitrile
InChi InChI=1S/C22H23Cl2N5/c1-4-7-21(22-27-26-15(2)28(22)3)29(14-17-8-5-6-9-19(17)23)18-11-10-16(13-25)20(24)12-18/h5-6,8-12,21H,4,7,14H2,1-3H3
InChiKey XBBPOZPLTBYZHN-UHFFFAOYSA-N
Formula C22H23Cl2N5 Molecular Weight 428.36
Cross Link CHEMBL555562
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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