CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00167825" 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 CFAMM00167825
Family CFFCD665 RAC-gamma serine/threonine-protein kinase Inhibitor AZD5363 Family
Superfamily CFSCD595 RAC-gamma serine/threonine-protein kinase Inhibitor AZD5363 Superfamily
Class CFCCD421 Class 1234
External ID CHEMBL1236822 External Source CHEMBL
PubChem CID 46870040 Functional Category Bioactive
Molecule Name SureCN13229976
IUPAC Name (2S)-2-(aminomethyl)-3-(4-chlorophenyl)-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
Synonyms CHEBI:799172;XM1
InChi InChI=1S/C20H23ClN6O/c21-16-3-1-14(2-4-16)11-15(12-22)20(28)27-9-7-26(8-10-27)19-17-5-6-23-18(17)24-13-25-19/h1-6,13,15H,7-12,22H2,(H,23,24,25)/t15-/m0/s1
InChiKey IYQSFRNHWXBIKV-HNNXBMFYSA-N
Formula C20H23ClN6O Molecular Weight 398.89
Cross Link CHEMBL1236822
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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