General Information of the Compound
| Compound ID |
CP0419105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-Pyridin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N2
|
||||||||||||||||||
| Molecular Weight |
234.302
|
||||||||||||||||||
| Canonical SMILES |
N#CC1CCc2cc(ccc2C1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N2/c17-10-12-3-4-14-9-15(6-5-13(14)8-12)16-2-1-7-18-11-16/h1-2,5-7,9,11-12H,3-4,8H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RNYRVOLWCLUVFC-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