CFam Chemical Families Database
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You are searching for "CFAMM00388603" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00388603
Family CFFBM8535 Tyrosine-protein kinase JAK2 inhibitor N-tert-butyl-3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide family
Superfamily CFSBM4495 Tyrosine-protein kinase JAK2 and Aurora kinase A Binder Superfamily
Class CFCAD712 Class 712
External ID CHEMBL1923581 External Source CHEMBL
PubChem CID 57401172 Functional Category Bioactive
Molecule Name N-[2-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
IUPAC Name N-[2-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
Synonyms AGN-PC-0BSOH7;SureCN521560;N-[2-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
InChi InChI=1S/C25H28FN7O2S/c1-30-12-14-32(15-13-30)24-10-8-18(16-21(24)26)28-25-27-17-19-9-11-23(33(19)29-25)20-6-4-5-7-22(20)31(2)36(3,34)35/h4-11,16-17H,12-15H2,1-3H3,(H,28,29)
InChiKey DSCDGGNZDOEWPA-UHFFFAOYSA-N
Formula C25H28FN7O2S Molecular Weight 509.60
Cross Link CHEMBL1923581
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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