CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00312404" 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 CFAMM00312404
Family CFFBM503 Aurora kinase A inhibitor AGN-PC-07ZZEH family
Superfamily CFSBM307 Aurora kinase A and Luciferin 4-monooxygenase Binder Superfamily
Class CFCCD341 Class 1154
External ID CHEMBL1082492 External Source CHEMBL
PubChem CID 46867016 Functional Category Bioactive
Molecule Name AGN-PC-07ZZEH
IUPAC Name 4-[[4-[6-bromo-7-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
Synonyms SureCN210874;CHEBI:731455;4-[[4-[6-bromo-7-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
InChi InChI=1S/C25H28BrN7OS/c26-21-13-27-25-22(23(21)33-7-5-31(6-8-33)15-20-16-35-17-28-20)29-24(30-25)19-3-1-18(2-4-19)14-32-9-11-34-12-10-32/h1-4,13,16-17H,5-12,14-15H2,(H,27,29,30)
InChiKey MZFFGJQGKDRXET-UHFFFAOYSA-N
Formula C25H28BrN7OS Molecular Weight 554.51
Cross Link CHEMBL1082492
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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