CFam Chemical Families Database
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You are searching for "CFAMM00439806" in compound.

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CFAM Mol ID CFAMM00439806
Family CFFBM16899 Cyclin-dependent kinase 4 and Cyclin-dependent kinase 2 inhibitor 2,4-bis anilino pyrimidine deriv. 24 family
Superfamily CFSBM1434 Cyclin-dependent kinase 2 and Cyclin-dependent kinase 4 Binder Superfamily 2
Class CFCAD153 Class 153
External ID CHEMBL101887 External Source CHEMBL
PubChem CID 6539002 Functional Category Bioactive
Molecule Name 2,4-bis anilino pyrimidine deriv. 19
IUPAC Name 1-[4-[[4-[2,5-dichloro-N-(4,4,4-trifluorobutyl)anilino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
Synonyms AC1O6YYZ;SureCN5431569;1-[4-[[4-[2,5-dichloro-N-(4,4,4-trifluorobutyl)anilino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
InChi InChI=1S/C25H28Cl2F3N5O2/c1-34(2)15-19(36)16-37-20-7-5-18(6-8-20)32-24-31-12-10-23(33-24)35(13-3-11-25(28,29)30)22-14-17(26)4-9-21(22)27/h4-10,12,14,19,36H,3,11,13,15-16H2,1-2H3,(H,31,32,33)
InChiKey HQGMRHNRHQZULO-UHFFFAOYSA-N
Formula C25H28Cl2F3N5O2 Molecular Weight 558.42
Cross Link CHEMBL101887
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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