General Information of the Compound
Compound ID
CP0523231
Compound Name
6-[(5R)-2,2-dimethyl-5-phenylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
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Structure
Formula
C19H21N3O3
Molecular Weight
339.395
Canonical SMILES
CC1(C)CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1
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InChI
InChI=1S/C19H21N3O3/c1-19(2)12-22(14(10-25-19)13-6-4-3-5-7-13)16-9-8-15-18(20-16)21-17(23)11-24-15/h3-9,14H,10-12H2,1-2H3,(H,20,21,23)/t14-/m0/s1
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InChIKey
KWJZSHAMCGQCPX-AWEZNQCLSA-N
Physicochemical Property
logP
2.769
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
63.69
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 54592011
SID: 131341819
ChEMBL ID
CHEMBL4082524
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 = 407 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 86 nM