General Information of the Compound
| Compound ID |
CP0445492
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-chloro-8-fluoro-7-methoxynaphthalen-2-yl)pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11ClFNO
|
||||||||||||||||||
| Molecular Weight |
287.721
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXMFOYHQXLDGBG-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