CFam Chemical Families Database
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You are searching for "CFAMM00403561" in compound.

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CFAM Mol ID CFAMM00403561
Family CFFBM10669 Dual specificity protein kinase TTK inhibitor 6-N-cyclohexyl-2-N-(2-methoxy-4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine family
Superfamily CFSBM492 Dihydrofolate reductase and Dual specificity protein kinase TTK Binder Superfamily
Class CFCCD18 Class 831
External ID CHEMBL2047967 External Source CHEMBL
PubChem CID 68525981 Functional Category Bioactive
Molecule Name 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]phenyl]-7H-purine-2,6-diamine
IUPAC Name 6-N-cyclohexyl-2-N-[2-methoxy-4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]phenyl]-7H-purine-2,6-diamine
Synonyms SureCN3139101
InChi InChI=1S/C27H38N8O2/c1-36-23-15-21(35-12-10-34(11-13-35)16-19-9-14-37-17-19)7-8-22(23)31-27-32-25-24(28-18-29-25)26(33-27)30-20-5-3-2-4-6-20/h7-8,15,18-20H,2-6,9-14,16-17H2,1H3,(H3,28,29,30,31,32,33)
InChiKey OOKFETVTUPUMHG-UHFFFAOYSA-N
Formula C27H38N8O2 Molecular Weight 506.64
Cross Link CHEMBL2047967
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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