CFam Chemical Families Database
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You are searching for "CFAMM00297947" 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 CFAMM00297947
Family CFFID3803 Herpes simplex virus type 1 thymidine kinase Inhibitor N2-(3-trifluoromethylphenyl)guanine Family
Superfamily CFSID2594 Herpes simplex virus type 1 thymidine kinase Inhibitor N2-(3-trifluoromethylphenyl)guanine Superfamily
Class CFCID301 Class 1651
External ID DNC013527 External Source TTD
PubChem CID 130084 Functional Category Investigative Drug
Molecule Name N2-(3-trifluoromethylphenyl)guanine
IUPAC Name 2-[3-(trifluoromethyl)anilino]-3,7-dihydropurin-6-one
Synonyms 123994-68-3;6H-Purin-6-one,1,9-dihydro-2-[[3-(trifluoromethyl)phenyl]amino]-;TMPG;AC1L2WRH;SureCN8537131;ACMC-1C36S;CHEMBL405761;CTK4B3699;CHEBI:530599;N2-(3-trifluoromethylphenyl)guanine
InChi InChI=1S/C12H8F3N5O/c13-12(14,15)6-2-1-3-7(4-6)18-11-19-9-8(10(21)20-11)16-5-17-9/h1-5H,(H3,16,17,18,19,20,21)
InChiKey IOWPKEYIXBBDOQ-UHFFFAOYSA-N
Formula C12H8F3N5O Molecular Weight 295.22
Cross Link CHEMBL405761
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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