CFam Chemical Families Database
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You are searching for "CFAMM00326431" in compound.

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CFAM Mol ID CFAMM00326431
Family CFFBM1687 Cathepsin S and Cathepsin K inhibitor SureCN1629664 family
Superfamily CFSBM975 cGMP-specific 3',5'-cyclic phosphodiesterase and Cathepsin S Binder Superfamily
Class CFCCD163 Class 976
External ID CHEMBL1209146 External Source CHEMBL
PubChem CID 49862228 Functional Category Bioactive
Molecule Name AGN-PC-088VBO
IUPAC Name 4-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
Synonyms CHEBI:782946;4-[4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
InChi InChI=1S/C20H22F3N5O/c1-27-8-10-28(11-9-27)7-2-12-29-18-4-3-15(13-16(18)20(21,22)23)17-5-6-25-19(14-24)26-17/h3-6,13H,2,7-12H2,1H3
InChiKey LZLJBBHMBQJUSF-UHFFFAOYSA-N
Formula C20H22F3N5O Molecular Weight 405.42
Cross Link CHEMBL1209146
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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