CFam Chemical Families Database
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You are searching for "CFAMM00333262" in compound.

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CFAM Mol ID CFAMM00333262
Family CFFBM2370 Aurora kinase A inhibitor AGN-PC-00BCUF family
Superfamily CFSBM1314 Aurora kinase A and Receptor-type tyrosine-protein kinase FLT3 Binder Superfamily
Class CFCCD331 Class 1144
External ID CHEMBL201263 External Source CHEMBL
PubChem CID 11692746 Functional Category Bioactive
Molecule Name AGN-PC-00E8Z2
IUPAC Name 3-fluoro-N-[[2-[[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]methyl]benzamide
Synonyms CHEBI:438132;3-fluoro-N-[[2-[[7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]methyl]benzamide
InChi InChI=1S/C29H33FN6O4S/c1-39-25-13-23-24(14-26(25)40-11-3-8-36-9-6-19(17-37)7-10-36)33-18-34-27(23)35-29-32-16-22(41-29)15-31-28(38)20-4-2-5-21(30)12-20/h2,4-5,12-14,16,18-19,37H,3,6-11,15,17H2,1H3,(H,31,38)(H,32,33,34,35)
InChiKey FHFXXELCOMBVAO-UHFFFAOYSA-N
Formula C29H33FN6O4S Molecular Weight 580.67
Cross Link CHEMBL201263
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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