CFam Chemical Families Database
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You are searching for "CFAMM00441252" in compound.

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CFAM Mol ID CFAMM00441252
Family CFFBM17234 Activated CDC42 kinase 1 and Tyrosine-protein kinase Lck inhibitor AGN-PC-050UK2 family
Superfamily CFSBM219 cAMP and Glucokinase Binder Superfamily
Class CFCCD42 Class 855
External ID CHEMBL450918 External Source CHEMBL
PubChem CID 16048979 Functional Category Bioactive
Molecule Name AGN-PC-00S52D
IUPAC Name 3-N-(2,6-dimethylphenyl)-6-N-[3-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-1-(3-methoxy-3-methylbutyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
Synonyms CHEBI:552350;3-N-(2,6-dimethylphenyl)-6-N-[3-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]-1-(3-methoxy-3-methylbutyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
InChi InChI=1S/C33H44FN7O2/c1-23-11-9-12-24(2)29(23)37-30-26-22-35-32(38-31(26)41(39-30)19-15-33(3,4)42-5)36-25-13-14-28(27(34)21-25)43-20-10-18-40-16-7-6-8-17-40/h9,11-14,21-22H,6-8,10,15-20H2,1-5H3,(H,37,39)(H,35,36,38)
InChiKey YBYFISXTSWTCCW-UHFFFAOYSA-N
Formula C33H44FN7O2 Molecular Weight 589.75
Cross Link CHEMBL450918
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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