General Information of the Compound
Compound ID
CP0396747
Compound Name
6-methyl-6-phenyl-3-(3-phenylphenyl)-1,3-oxazinan-2-one
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Structure
Formula
C23H21NO2
Molecular Weight
343.426
Canonical SMILES
CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H21NO2/c1-23(20-12-6-3-7-13-20)15-16-24(22(25)26-23)21-14-8-11-19(17-21)18-9-4-2-5-10-18/h2-14,17H,15-16H2,1H3
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InChIKey
PMNFSAGLIMRJAD-UHFFFAOYSA-N
Physicochemical Property
logP
5.6157
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
26

"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: 25183175
SID: 57290867
ChEMBL ID
CHEMBL1829750
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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4.7 nM
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