General Information of the Compound
Compound ID
CP0157704
Compound Name
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-4H-1,4-benzoxazin-3-one
    Show/Hide
Structure
Formula
C18H16N2O3
Molecular Weight
308.337
Canonical SMILES
O=C(N1CCCc2ccccc12)c1ccc2OCC(=O)Nc2c1
    Show/Hide
InChI
InChI=1S/C18H16N2O3/c21-17-11-23-16-8-7-13(10-14(16)19-17)18(22)20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H,19,21)
    Show/Hide
InChIKey
LAEMPXLEUUFMGX-UHFFFAOYSA-N
Physicochemical Property
logP
2.6105
Rotatable Bonds
1
Heavy Atom Count
23
Polar Areas
58.64
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 110763791
ChEMBL ID
CHEMBL4580706
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: PT01154, Mineralocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000952 UAS-MR-bla HEK293 Homo sapiens (Human)  1
1
IC50 = 1995.26 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 630.96 nM