CFam Chemical Families Database
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You are searching for "CFAMM00140695" in compound.

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CFAM Mol ID CFAMM00140695
Family CFFCD165 Tyrosine-protein kinase Lck and Aurora kinase B Inhibitor VX-680 Family
Superfamily CFSCD150 Tyrosine-protein kinase Lck and Aurora kinase B Inhibitor VX-680 Superfamily
Class CFCCD122 Class 935
External ID CHEMBL1682366 External Source CHEMBL
PubChem CID 53316998 Functional Category Bioactive
Molecule Name 1-[4-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
IUPAC Name 1-[4-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
Synonyms CHEBI:1172407
InChi InChI=1S/C25H28N8O/c1-25(9-10-25)20-17-21(29-28-20)26-23-19-8-5-11-33(19)30-24(27-23)32-14-12-31(13-15-32)22(34)16-18-6-3-2-4-7-18/h2-8,11,17H,9-10,12-16H2,1H3,(H2,26,27,28,29,30)
InChiKey OTQMUWZYUOZEJQ-UHFFFAOYSA-N
Formula C25H28N8O Molecular Weight 456.54
Cross Link CHEMBL1682366
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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