CFam Chemical Families Database
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You are searching for "CFAMM00379648" in compound.

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CFAM Mol ID CFAMM00379648
Family CFFBM7394 Tyrosine-protein kinase JAK2 inhibitor AGN-PC-07CBUP family
Superfamily CFSCD527 cGMP-specific 3',5'-cyclic phosphodiesterase Inhibitor PF-00489791 Superfamily
Class CFCCD372 Class 1185
External ID CHEMBL1682380 External Source CHEMBL
PubChem CID 45280146 Functional Category Bioactive
Molecule Name AGN-PC-07CBUP
IUPAC Name [4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
Synonyms SureCN1723026;CHEBI:1172421;[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(2-methylsulfonylphenyl)methanone
InChi InChI=1S/C22H24N8O3S/c1-15-14-19(26-25-15)23-20-17-7-5-9-30(17)27-22(24-20)29-12-10-28(11-13-29)21(31)16-6-3-4-8-18(16)34(2,32)33/h3-9,14H,10-13H2,1-2H3,(H2,23,24,25,26,27)
InChiKey CHBAPBLNNGSPAO-UHFFFAOYSA-N
Formula C22H24N8O3S Molecular Weight 480.54
Cross Link CHEMBL1682380
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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