General Information of the Compound
Compound ID
CP0420332
Compound Name
6-[(2R)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
    Show/Hide
Structure
Formula
C12H15N3O3
Molecular Weight
249.27
Canonical SMILES
C[C@@H]1CN(CCO1)c1ccc2OCC(=O)Nc2n1
    Show/Hide
InChI
InChI=1S/C12H15N3O3/c1-8-6-15(4-5-17-8)10-3-2-9-12(13-10)14-11(16)7-18-9/h2-3,8H,4-7H2,1H3,(H,13,14,16)/t8-/m1/s1
    Show/Hide
InChIKey
MCOALEWLKMMXIW-MRVPVSSYSA-N
Physicochemical Property
logP
0.6376
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
63.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 66995780
ChEMBL ID
CHEMBL4081522
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
CL000148 Huh-7 Homo sapiens (Human)  1
1
IC50 = 3050 nM
   TI
   LI
   LO
   TS