CFam Chemical Families Database
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You are searching for "CFAMM00442275" 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 CFAMM00442275
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 CHEMBL487241 External Source CHEMBL
PubChem CID 44563040 Functional Category Bioactive
Molecule Name AGN-PC-078WDN
IUPAC Name 3-N-(2,6-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
Synonyms CHEBI:552960;3-N-(2,6-dichlorophenyl)-1-[2-(dimethylamino)ethyl]-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
InChi InChI=1S/C21H21Cl2N7/c1-29(2)11-12-30-20-15(13-24-21(27-20)25-14-7-4-3-5-8-14)19(28-30)26-18-16(22)9-6-10-17(18)23/h3-10,13H,11-12H2,1-2H3,(H,26,28)(H,24,25,27)
InChiKey XQRGMQCYPWDDOP-UHFFFAOYSA-N
Formula C21H21Cl2N7 Molecular Weight 442.34
Cross Link CHEMBL487241
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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