CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00169723" 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 CFAMM00169723
Family CFFCD722 Histone deacetylase 6 Inhibitor ACY-1215 Family
Superfamily CFSCD638 Histone deacetylase 6 Inhibitor ACY-1215 Superfamily
Class CFCAD144 Class 144
External ID CHEMBL456134 External Source CHEMBL
PubChem CID 44587938 Functional Category Bioactive
Molecule Name AGN-PC-077QQ7
IUPAC Name 2-cyano-N-(1-methyl-4-phenylpiperidin-4-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
Synonyms CHEBI:612398;2-cyano-N-(1-methyl-4-phenylpiperidin-4-yl)-4-(spiro[2.5]octan-6-ylmethylamino)pyrimidine-5-carboxamide
InChi InChI=1S/C27H34N6O/c1-33-15-13-27(14-16-33,21-5-3-2-4-6-21)32-25(34)22-19-29-23(17-28)31-24(22)30-18-20-7-9-26(10-8-20)11-12-26/h2-6,19-20H,7-16,18H2,1H3,(H,32,34)(H,29,30,31)
InChiKey SOHAERZROOTNSG-UHFFFAOYSA-N
Formula C27H34N6O Molecular Weight 458.60
Cross Link CHEMBL456134
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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