CFam Chemical Families Database
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You are searching for "CFAMM00442272" 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 CFAMM00442272
Family CFFBM17401 Activated CDC42 kinase 1 inhibitor AGN-PC-078WDN family
Superfamily CFSID311 D(4) dopamine receptor Ligand L-745,870 Superfamily
Class CFCID217 Class 1567
External ID CHEMBL487054 External Source CHEMBL
PubChem CID 44563041 Functional Category Bioactive
Molecule Name AGN-PC-078WDO
IUPAC Name 3-N-(2,6-dichlorophenyl)-1-[3-(dimethylamino)propyl]-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
Synonyms SureCN13239771;CHEBI:552961;3-N-(2,6-dichlorophenyl)-1-[3-(dimethylamino)propyl]-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
InChi InChI=1S/C22H23Cl2N7/c1-30(2)12-7-13-31-21-16(14-25-22(28-21)26-15-8-4-3-5-9-15)20(29-31)27-19-17(23)10-6-11-18(19)24/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,27,29)(H,25,26,28)
InChiKey GVKJVGIHBKFCIP-UHFFFAOYSA-N
Formula C22H23Cl2N7 Molecular Weight 456.37
Cross Link CHEMBL487054
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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