General Information of the Compound
| Compound ID |
CP0489992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22F3N5O2
|
||||||||||||||||||
| Molecular Weight |
481.478
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)NCCn1c2cc(NCc3cccc(c3)C(F)(F)F)ccc2nc(-c2cccnc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJMXZZFAFYCUBI-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