CFam Chemical Families Database
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You are searching for "CFAMM00411728" in compound.

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CFAM Mol ID CFAMM00411728
Family CFFBM11764 Tyrosine-protein kinase ABL1 and Breakpoint cluster region protein inhibitor 4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide family
Superfamily CFSCD630 Angiopoietin-1 receptor and Vascular endothelial growth factor receptor 1 Binder Superfamily
Class CFCAD195 Class 195
External ID CHEMBL2177648 External Source CHEMBL
PubChem CID 71451818 Functional Category Bioactive
Molecule Name N-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
IUPAC Name N-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
Synonyms
InChi InChI=1S/C30H30F3N9O/c1-18-4-5-19(11-27(18)42-17-26(37-39-42)21-10-22-14-35-38-28(22)34-13-21)29(43)36-23-7-6-20(25(12-23)30(31,32)33)15-41-9-8-24(16-41)40(2)3/h4-7,10-14,17,24H,8-9,15-16H2,1-3H3,(H,36,43)(H,34,35,38)/t24-/m0/s1
InChiKey WKTHEPAGRCQCOF-DEOSSOPVSA-N
Formula C30H30F3N9O Molecular Weight 589.61
Cross Link CHEMBL2177648
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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