General Information of the Compound
| Compound ID |
CP0482660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-methoxyanilino)-2-pyridin-3-ylquinazolin-6-yl]-3-nitrobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20N6O4
|
||||||||||||||||||
| Molecular Weight |
492.495
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(Nc2nc(nc3ccc(NC(=O)c4cccc(c4)[N+]([O-])=O)cc23)-c2cccnc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20N6O4/c1-37-22-9-3-7-19(14-22)29-26-23-15-20(30-27(34)17-5-2-8-21(13-17)33(35)36)10-11-24(23)31-25(32-26)18-6-4-12-28-16-18/h2-16H,1H3,(H,30,34)(H,29,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRKMLIPHCMDNJP-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