CFam Chemical Families Database
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You are searching for "CFAMM00403574" in compound.

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CFAM Mol ID CFAMM00403574
Family CFFBM10670 Dual specificity protein kinase TTK inhibitor 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone family
Superfamily CFSBM492 Dihydrofolate reductase and Dual specificity protein kinase TTK Binder Superfamily
Class CFCCD18 Class 831
External ID CHEMBL2048080 External Source CHEMBL
PubChem CID 70688374 Functional Category Bioactive
Molecule Name 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
IUPAC Name 2-[1-[4-[[6-(cyclohexylamino)-7H-purin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
Synonyms
InChi InChI=1S/C31H45N9O2/c1-38(2)24-13-16-40(19-24)27(41)17-21-11-14-39(15-12-21)23-9-10-25(26(18-23)42-3)35-31-36-29-28(32-20-33-29)30(37-31)34-22-7-5-4-6-8-22/h9-10,18,20-22,24H,4-8,11-17,19H2,1-3H3,(H3,32,33,34,35,36,37)
InChiKey GLEMLZUFCSHGAE-UHFFFAOYSA-N
Formula C31H45N9O2 Molecular Weight 575.75
Cross Link CHEMBL2048080
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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