CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00212220" in compound.

Total 1 results found.

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 CFAMM00212220
Family CFFID487 Prostaglandin G/H synthase 2 Inhibitor RWJ-67657 Family
Superfamily CFSID396 Prostaglandin G/H synthase 2 Inhibitor RWJ-67657 Superfamily
Class CFCCD107 Class 920
External ID CHEMBL519791 External Source CHEMBL
PubChem CID 44568262 Functional Category Bioactive
Molecule Name (1R)-2-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]amino]cyclohexan-1-ol
IUPAC Name (1R)-2-[[4-[5-(4-fluorophenyl)-3-(2-methoxyethyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]amino]cyclohexan-1-ol
Synonyms CHEBI:567862
InChi InChI=1S/C24H29FN4O2S/c1-31-14-13-29-23(22(28-24(29)32-2)16-7-9-18(25)10-8-16)17-11-12-26-21(15-17)27-19-5-3-4-6-20(19)30/h7-12,15,19-20,30H,3-6,13-14H2,1-2H3,(H,26,27)/t19?,20-/m1/s1
InChiKey ORMKWTCPKNAMDO-GFOWMXPYSA-N
Formula C24H29FN4O2S Molecular Weight 456.58
Cross Link CHEMBL519791
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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