General Information of the Compound
| Compound ID |
CP0401631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Pyridin-3-yl-naphthalene-2-carbonyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14N2O
|
||||||||||||||||||
| Molecular Weight |
334.378
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccc(cc1)C#N)c1cc2ccccc2cc1-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14N2O/c24-14-16-7-9-17(10-8-16)23(26)22-13-19-5-2-1-4-18(19)12-21(22)20-6-3-11-25-15-20/h1-13,15H
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGRBQXJXJWLSFB-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