CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00424010" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00424010
Family CFFBM13748 Tyrosine-protein kinase ITK/TSK and Aurora kinase B inhibitor 4-[[4-[difluoro-(4-fluorophenyl)methyl]-6-(isoquinolin-3-ylamino)pyrimidin-2-yl]amino]cyclohexan-1-ol family
Superfamily CFSCD452 Adenosine receptor A1 Ligand SLV320 Superfamily
Class CFCCD321 Class 1134
External ID CHEMBL585287 External Source CHEMBL
PubChem CID 45488140 Functional Category Bioactive
Molecule Name AGN-PC-07CRSI
IUPAC Name 4-[[4-[3-(4-fluorophenyl)-6,7-dimethylquinoxalin-2-yl]pyridin-2-yl]amino]cyclohexan-1-ol
Synonyms CHEBI:683549;4-[[4-[3-(4-fluorophenyl)-6,7-dimethylquinoxalin-2-yl]pyridin-2-yl]amino]cyclohexan-1-ol
InChi InChI=1S/C27H27FN4O/c1-16-13-23-24(14-17(16)2)32-27(26(31-23)18-3-5-20(28)6-4-18)19-11-12-29-25(15-19)30-21-7-9-22(33)10-8-21/h3-6,11-15,21-22,33H,7-10H2,1-2H3,(H,29,30)/t21-,22-
InChiKey GRBKEYMXMJRCDE-HZCBDIJESA-N
Formula C27H27FN4O Molecular Weight 442.53
Cross Link CHEMBL585287
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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