General Information of the Compound
| Compound ID |
CP0494427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-(3-ethylphenylcarbamoyl)-4-o-tolyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)pyridine 1-oxide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N5O2
|
||||||||||||||||||
| Molecular Weight |
465.557
|
||||||||||||||||||
| Canonical SMILES |
CCc1cccc(NC(=O)N2CCc3nc(nc(c3C2)-c2ccccc2C)-c2ccc[n+]([O-])c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O2/c1-3-20-9-6-11-22(16-20)29-28(34)32-15-13-25-24(18-32)26(23-12-5-4-8-19(23)2)31-27(30-25)21-10-7-14-33(35)17-21/h4-12,14,16-17H,3,13,15,18H2,1-2H3,(H,29,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULURDPIPJCOTEC-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