CFam Chemical Families Database
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You are searching for "CFAMM00388859" in compound.

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CFAM Mol ID CFAMM00388859
Family CFFBM8568 Tyrosine-protein kinase JAK2 inhibitor (2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol family
Superfamily CFSCD614 Hepatocyte growth factor receptor Ligand Amg 208 Superfamily
Class CFCCD435 Class 1248
External ID CHEMBL2158525 External Source CHEMBL
PubChem CID 56945493 Functional Category Bioactive
Molecule Name N-[2-[2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
IUPAC Name N-[2-[2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
Synonyms AGN-PC-0BMTI4;N-[2-[2-[4-[1-(2-hydroxyethyl)piperidin-4-yl]-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide
InChi InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31)
InChiKey SYZCXHIZVIOJHP-UHFFFAOYSA-N
Formula C28H34N6O4S Molecular Weight 550.67
Cross Link CHEMBL2158525
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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