General Information of the Compound
| Compound ID |
CP0435098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
Show/Hide
|
||||||||||||||||||
| Synonyms |
3-(6-methoxy-3,4-dihydronaphthalen-2-yl)pyridine
AC1O70H9
BDBM8891
CHEMBL206351
Dihydronaphthalene 4
SCHEMBL4504105
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H15NO
|
||||||||||||||||||
| Molecular Weight |
237.302
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2C=C(CCc2c1)c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15NO/c1-18-16-7-6-12-9-13(4-5-14(12)10-16)15-3-2-8-17-11-15/h2-3,6-11H,4-5H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WUTGTMFGCHNUET-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
Clinical Information about the Compound