General Information of the Compound
Compound ID
CP0567193
Compound Name
6-[(2R,5R)-5-(4-fluorophenyl)-2-methylmorpholin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
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Structure
Formula
C18H18FN3O3
Molecular Weight
343.358
Canonical SMILES
C[C@@H]1CN([C@@H](CO1)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2n1
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InChI
InChI=1S/C18H18FN3O3/c1-11-8-22(14(9-24-11)12-2-4-13(19)5-3-12)16-7-6-15-18(20-16)21-17(23)10-25-15/h2-7,11,14H,8-10H2,1H3,(H,20,21,23)/t11-,14+/m1/s1
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InChIKey
ZWUDTBNXYUAERB-RISCZKNCSA-N
Physicochemical Property
logP
2.518
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: 54592010
SID: 131341818
ChEMBL ID
CHEMBL4078214
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 = 105 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 39 nM