CFam Chemical Families Database
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You are searching for "CFAMM00450065" in compound.

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CFAM Mol ID CFAMM00450065
Family CFFBM18966 Mitogen-activated protein kinase 14 inhibitor AGN-PC-07R77D family
Superfamily CFSCD617 Aurora kinase A Inhibitor ABT-348 Superfamily
Class CFCCD437 Class 1250
External ID CHEMBL594168 External Source CHEMBL
PubChem CID 46226968 Functional Category Bioactive
Molecule Name 2-[[4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylphenyl]methylamino]ethanol;hydrochloride
IUPAC Name 2-[[4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylphenyl]methylamino]ethanol;hydrochloride
Synonyms AGN-PC-07R783;CHEBI:693997;2-[[4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-3-methylphenyl]methylamino]ethanol;hydrochloride
InChi InChI=1S/C22H20F2N4OS.ClH/c1-14-10-15(12-25-8-9-29)2-5-18(14)22-27-26-21-7-4-17(13-28(21)22)30-20-6-3-16(23)11-19(20)24;/h2-7,10-11,13,25,29H,8-9,12H2,1H3;1H
InChiKey DRHBEIDUKOMOQJ-UHFFFAOYSA-N
Formula C22H21ClF2N4OS Molecular Weight 462.94
Cross Link CHEMBL594168
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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