General Information of the Compound
| Compound ID |
CP0423085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20FNO2
|
||||||||||||||||||
| Molecular Weight |
349.405
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1F)-c1ccc2c(CCCC2(O)c2ccncc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20FNO2/c1-26-21-7-5-16(14-20(21)23)15-4-6-19-17(13-15)3-2-10-22(19,25)18-8-11-24-12-9-18/h4-9,11-14,25H,2-3,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LRECNGBVUUBJSA-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