CFam Chemical Families Database
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You are searching for "CFAMM00391052" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00391052
Family CFFBM8855 Vascular endothelial growth factor receptor 2 ligand urea deriv. 20 family
Superfamily CFSCD731 Tyrosine-protein kinase BTK Inhibitor CC-292 Superfamily
Class CFCCD521 Class 1334
External ID CHEMBL1289818 External Source CHEMBL
PubChem CID 52944788 Functional Category Bioactive
Molecule Name AGN-PC-09M6LF
IUPAC Name N,N-dimethyl-4-[[2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]benzenesulfonamide
Synonyms SureCN4197939;CHEBI:816228;N,N-dimethyl-4-[[2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]benzenesulfonamide
InChi InChI=1S/C27H32F3N7O2S/c1-35(2)40(38,39)20-10-8-19(9-11-20)32-24-21-12-17-36(25-22(27(28,29)30)7-6-14-31-25)18-13-23(21)33-26(34-24)37-15-4-3-5-16-37/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,32,33,34)
InChiKey DNUVXHWRVVZLEF-UHFFFAOYSA-N
Formula C27H32F3N7O2S Molecular Weight 575.65
Cross Link CHEMBL1289818
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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