CFam Chemical Families Database
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You are searching for "CFAMM00409301" in compound.

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CFAM Mol ID CFAMM00409301
Family CFFBM11416 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform inhibitor 5-[3-[4-[3-(4-methoxyphenyl)pyrazin-2-yl]piperazin-1-yl]sulfonylphenyl]pyrimidin-2-amine family
Superfamily CFSBM2073 Beta-lactamase and Retinal dehydrogenase 1 Binder Superfamily 4
Class CFCBM516 Class 3566
External ID CHEMBL428661 External Source CHEMBL
PubChem CID 44265871 Functional Category Bioactive
Molecule Name AGN-PC-0744LM
IUPAC Name 4-tert-butyl-N-[6-(3-hydroxypropyl)-5-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Synonyms CHEBI:105134;4-tert-butyl-N-[6-(3-hydroxypropyl)-5-[(2-methoxyphenyl)methyl]-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
InChi InChI=1S/C29H33N5O4S/c1-29(2,3)21-12-14-22(15-13-21)39(36,37)34-26-23(19-20-9-5-6-11-25(20)38-4)24(10-7-18-35)32-28(33-26)27-30-16-8-17-31-27/h5-6,8-9,11-17,35H,7,10,18-19H2,1-4H3,(H,32,33,34)
InChiKey NEOVBIIJKPUROI-UHFFFAOYSA-N
Formula C29H33N5O4S Molecular Weight 547.67
Cross Link CHEMBL428661
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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