General Information of the Compound
| Compound ID |
CP0564730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-benzyl-3-oxoquinoxalin-2-yl)-4-nitrobenzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15N3O5
|
||||||||||||||||||
| Molecular Weight |
401.378
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(c(c1)-c1nc2ccccc2n(Cc2ccccc2)c1=O)[N+]([O-])=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15N3O5/c26-21-20(16-12-15(22(27)28)10-11-18(16)25(29)30)23-17-8-4-5-9-19(17)24(21)13-14-6-2-1-3-7-14/h1-12H,13H2,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WHACVYAMQAWGOS-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