CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00155519" 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 CFAMM00155519
Family CFFCD402 Reverse transcriptase Inhibitor Dapivirine Family
Superfamily CFSCD365 Reverse transcriptase Inhibitor Dapivirine Superfamily
Class CFCAD202 Class 202
External ID CHEMBL418865 External Source CHEMBL
PubChem CID 13739861 Functional Category Bioactive
Molecule Name 5-[(4-amino-3-butan-2-yl-5-ethylphenyl)methyl]pyrimidine-2,4-diamine
IUPAC Name 5-[(4-amino-3-butan-2-yl-5-ethylphenyl)methyl]pyrimidine-2,4-diamine
Synonyms AGN-PC-00NS85;5-[(4-amino-3-butan-2-yl-5-ethylphenyl)methyl]pyrimidine-2,4-diamine
InChi InChI=1S/C17H25N5/c1-4-10(3)14-8-11(6-12(5-2)15(14)18)7-13-9-21-17(20)22-16(13)19/h6,8-10H,4-5,7,18H2,1-3H3,(H4,19,20,21,22)
InChiKey GQDUADLPQGIRGI-UHFFFAOYSA-N
Formula C17H25N5 Molecular Weight 299.41
Cross Link CHEMBL418865
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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