CFam Chemical Families Database
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You are searching for "CFAMM00447634" 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 CFAMM00447634
Family CFFBM18483 Prostaglandin G/H synthase 2 and Prostaglandin G/H synthase 1 inhibitor AGN-PC-07C5RG family
Superfamily CFSID2069 Prostaglandin G/H synthase 2 and Corticotropin-releasing factor receptor 1 Binder Superfamily
Class CFCCD44 Class 857
External ID CHEMBL561005 External Source CHEMBL
PubChem CID 45269451 Functional Category Bioactive
Molecule Name AGN-PC-07C4TC
IUPAC Name 2-cycloheptyloxy-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
Synonyms CHEBI:659268;2-cycloheptyloxy-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
InChi InChI=1S/C19H21F3N2O3S/c1-28(25,26)15-10-8-13(9-11-15)16-12-17(19(20,21)22)24-18(23-16)27-14-6-4-2-3-5-7-14/h8-12,14H,2-7H2,1H3
InChiKey HONHICONPPFBQI-UHFFFAOYSA-N
Formula C19H21F3N2O3S Molecular Weight 414.44
Cross Link CHEMBL561005
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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