General Information of the Compound
Compound ID
CP0494288
Compound Name
3-[3-(2-fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
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Structure
Formula
C23H20FNO2
Molecular Weight
361.416
Canonical SMILES
CC1(CCN(C(=O)O1)c1cccc(c1)-c1ccccc1F)c1ccccc1
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InChI
InChI=1S/C23H20FNO2/c1-23(18-9-3-2-4-10-18)14-15-25(22(26)27-23)19-11-7-8-17(16-19)20-12-5-6-13-21(20)24/h2-13,16H,14-15H2,1H3
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InChIKey
CJOYNVRXISNTHV-UHFFFAOYSA-N
Physicochemical Property
logP
5.7548
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
27

"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: 25181744
SID: 57289363
ChEMBL ID
CHEMBL1829751
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 = 12 nM
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