General Information of the Compound
| Compound ID |
CP0530601
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-methoxy-5-(4-oxopyrido[1,2-a]pyrimidin-7-yl)pyridin-3-yl]-2-methylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N4O4S
|
||||||||||||||||||
| Molecular Weight |
422.466
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccccc1C)-c1ccc2nccc(=O)n2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N4O4S/c1-14-5-3-4-6-18(14)30(27,28)24-17-11-16(12-23-21(17)29-2)15-7-8-19-22-10-9-20(26)25(19)13-15/h3-13,24H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCQWYHXWMACQHH-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01065, Serine/threonine-protein kinase mTOR