General Information of the Compound
Compound ID
CP0548735
Compound Name
6-[(3R)-3-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
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Structure
Formula
C17H17N3O3
Molecular Weight
311.341
Canonical SMILES
O=C1COc2ccc(nc2N1)N1CCOC[C@H]1c1ccccc1
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InChI
InChI=1S/C17H17N3O3/c21-16-11-23-14-6-7-15(18-17(14)19-16)20-8-9-22-10-13(20)12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,18,19,21)/t13-/m0/s1
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InChIKey
AUSLDGVMWQDFIM-ZDUSSCGKSA-N
Physicochemical Property
logP
1.9904
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
63.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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).

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PubChem ID
CID: 66996568
ChEMBL ID
CHEMBL4079083
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)  2
1
IC50 = 1969 nM
   TI
   LI
   LO
   TS
2
IC50 = 1970 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1181 nM