CFam Chemical Families Database
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You are searching for "CFAMM00125432" in compound.

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CFAM Mol ID CFAMM00125432
Family CFFAD1088 Receptor-type tyrosine-protein kinase FLT3 and Mast/stem cell growth factor receptor Kit Ligand Ponatinib Family
Superfamily CFSAD913 Receptor-type tyrosine-protein kinase FLT3 and Mast/stem cell growth factor receptor Kit Ligand Ponatinib Superfamily
Class CFCAD794 Class 794
External ID CHEMBL2316585 External Source CHEMBL
PubChem CID 71562420 Functional Category Bioactive
Molecule Name 4-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
IUPAC Name 4-cyclopropyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide
Synonyms
InChi InChI=1S/C31H29F3N6O/c1-39-10-12-40(13-11-39)19-24-6-8-26(16-28(24)31(32,33)34)37-30(41)23-7-9-27(21-4-5-21)22(15-23)3-2-20-14-25-18-36-38-29(25)35-17-20/h6-9,14-18,21H,4-5,10-13,19H2,1H3,(H,37,41)(H,35,36,38)
InChiKey IVHGBCHHMXTINX-UHFFFAOYSA-N
Formula C31H29F3N6O Molecular Weight 558.60
Cross Link CHEMBL2316585
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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