CFam Chemical Families Database
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You are searching for "CFAMM00308167" in compound.

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CFAM Mol ID CFAMM00308167
Family CFFBM156 Cyclin-dependent kinase 2 and Cyclin-dependent kinase 1 inhibitor AC1O6YZF family
Superfamily CFSBM97 D(4) dopamine receptor and D(2) dopamine receptor Binder Superfamily
Class CFCBM4 Class 3054
External ID CHEMBL419720 External Source CHEMBL
PubChem CID 6539006 Functional Category Bioactive
Molecule Name 2,4-bis anilino pyrimidine deriv. 24
IUPAC Name 1-[4-[[5-bromo-4-[N-(4,4,4-trifluorobutyl)anilino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
Synonyms AC1O6YZ7;SureCN6642004;1-[4-[[5-bromo-4-[N-(4,4,4-trifluorobutyl)anilino]pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
InChi InChI=1S/C25H29BrF3N5O2/c1-33(2)16-20(35)17-36-21-11-9-18(10-12-21)31-24-30-15-22(26)23(32-24)34(14-6-13-25(27,28)29)19-7-4-3-5-8-19/h3-5,7-12,15,20,35H,6,13-14,16-17H2,1-2H3,(H,30,31,32)
InChiKey OHDQHRAKDCCIMS-UHFFFAOYSA-N
Formula C25H29BrF3N5O2 Molecular Weight 568.43
Cross Link CHEMBL419720
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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