General Information of the Compound
Compound ID
CP0490010
Compound Name
2-phenyl-5-pyridin-3-yloxypyridine
    Show/Hide
Structure
Formula
C16H12N2O
Molecular Weight
248.285
Canonical SMILES
O(c1cccnc1)c1ccc(nc1)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C16H12N2O/c1-2-5-13(6-3-1)16-9-8-15(12-18-16)19-14-7-4-10-17-11-14/h1-12H
    Show/Hide
InChIKey
RBBDOLIQPHVADY-UHFFFAOYSA-N
Physicochemical Property
logP
3.9359
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
35.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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
CID: 73347618
ChEMBL ID
CHEMBL2417617
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1015 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1880 nM
   TI
   LI
   LO
   TS