General Information of the Compound
| Compound ID |
CP0510226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[5-(6-Methoxynaphthalen-2-yl)pyridin-3-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H15NO2
|
||||||||||||||||||
| Molecular Weight |
277.323
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cncc(c1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H15NO2/c1-12(20)16-8-17(11-19-10-16)14-3-4-15-9-18(21-2)6-5-13(15)7-14/h3-11H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PECISPDQTYCDOA-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial