General Information of the Compound
Compound ID
CP0482437
Compound Name
7-hydroxy-6-pyridin-3-yl-3,4-dihydro-1H-quinolin-2-one
    Show/Hide
Structure
Formula
C14H12N2O2
Molecular Weight
240.262
Canonical SMILES
Oc1cc2NC(=O)CCc2cc1-c1cccnc1
    Show/Hide
InChI
InChI=1S/C14H12N2O2/c17-13-7-12-9(3-4-14(18)16-12)6-11(13)10-2-1-5-15-8-10/h1-2,5-8,17H,3-4H2,(H,16,18)
    Show/Hide
InChIKey
FAIZAAHEHFKTID-UHFFFAOYSA-N
Physicochemical Property
logP
2.3389
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
62.22
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 58255482
SID: 152190376
ChEMBL ID
CHEMBL2165313
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 = 11940 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 = 312 nM
   TI
   LI
   LO
   TS