General Information of the Compound
| Compound ID |
CP0431314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-chloro-5-[3-(piperidin-3-ylmethylamino)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24ClFN6O2S
|
||||||||||||||||||
| Molecular Weight |
527.025
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCNC3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24ClFN6O2S/c26-25-23(33-36(34,35)20-6-4-19(27)5-7-20)11-18(14-31-25)17-3-8-21-22(10-17)32-24(15-29-21)30-13-16-2-1-9-28-12-16/h3-8,10-11,14-16,28,33H,1-2,9,12-13H2,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMRMRRLTZFLVMO-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