CFam Chemical Families Database
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You are searching for "CFAMM00134244" in compound.

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CFAM Mol ID CFAMM00134244
Family CFFCD108 Aurora kinase A Inhibitor MLN8054 Family
Superfamily CFSCD98 Aurora kinase A Inhibitor MLN8054 Superfamily
Class CFCCD85 Class 898
External ID DCL000169 External Source TTD
PubChem CID 11712649 Functional Category Clinical Trial Drug
Molecule Name MLN8054
IUPAC Name 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid
Synonyms MLN-8054;869363-13-3;MLN 8054;S1100_Selleck;Kinome_1204;CHEMBL259084;MLN 8054, MLN-8054, 869363-13-3;4-[[9-Chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid;ZZL;4-((9-chloro-7-(2,6-difluorophenyl)-5h-pyrimido(5,4-d)(2)benzazepin-2-yl)amino)benzoic acid
InChi InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
InChiKey HHFBDROWDBDFBR-UHFFFAOYSA-N
Formula C25H15ClF2N4O2 Molecular Weight 476.86
Cross Link CHEMBL259084
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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