CFam Chemical Families Database
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You are searching for "CFAMM00318631" in compound.

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CFAM Mol ID CFAMM00318631
Family CFFBM1034 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform inhibitor pyrazolo pyrimidine, 10 family
Superfamily CFSBM530 Serine/threonine-protein kinase mTOR and Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Binder Superfamily 3
Class CFCCD321 Class 1134
External ID CHEMBL501612 External Source CHEMBL
PubChem CID 44560729 Functional Category Bioactive
Molecule Name AGN-PC-078UWG
IUPAC Name 2-[4-[2-phenyl-3-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol
Synonyms CHEBI:548164;2-[4-[2-phenyl-3-[4-[[4-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrido[2,3-b]pyrazin-6-yl]piperazin-1-yl]ethanol
InChi InChI=1S/C37H39N11O/c49-24-23-46-19-21-48(22-20-46)31-12-11-30-35(41-31)42-33(32(40-30)27-5-2-1-3-6-27)28-9-7-26(8-10-28)25-47-17-13-29(14-18-47)34-43-37(45-44-34)36-38-15-4-16-39-36/h1-12,15-16,29,49H,13-14,17-25H2,(H,43,44,45)
InChiKey YAZWKGZMTQWFEC-UHFFFAOYSA-N
Formula C37H39N11O Molecular Weight 653.78
Cross Link CHEMBL501612
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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