CFam Chemical Families Database
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You are searching for "CFAMM00387651" in compound.

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CFAM Mol ID CFAMM00387651
Family CFFBM8401 Dual specificity protein kinase TTK inhibitor 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-7H-purine-2,6-diamine family
Superfamily CFSBM492 Dihydrofolate reductase and Dual specificity protein kinase TTK Binder Superfamily
Class CFCCD18 Class 831
External ID CHEMBL2047965 External Source CHEMBL
PubChem CID 68749727 Functional Category Bioactive
Molecule Name 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-7H-purine-2,6-diamine
IUPAC Name 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]-7H-purine-2,6-diamine
Synonyms SureCN3700310
InChi InChI=1S/C28H35N9O/c1-38-24-17-22(37-15-13-36(14-16-37)18-21-9-5-6-12-29-21)10-11-23(24)33-28-34-26-25(30-19-31-26)27(35-28)32-20-7-3-2-4-8-20/h5-6,9-12,17,19-20H,2-4,7-8,13-16,18H2,1H3,(H3,30,31,32,33,34,35)
InChiKey MMBOXQXVTMVCCQ-UHFFFAOYSA-N
Formula C28H35N9O Molecular Weight 513.64
Cross Link CHEMBL2047965
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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