General Information of the Compound
Compound ID
CP0502502
Compound Name
(6S)-3-(3-methylphenyl)-6-phenyl-1,3-oxazinan-2-one
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Structure
Formula
C17H17NO2
Molecular Weight
267.328
Canonical SMILES
Cc1cccc(c1)N1CC[C@H](OC1=O)c1ccccc1
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InChI
InChI=1S/C17H17NO2/c1-13-6-5-9-15(12-13)18-11-10-16(20-17(18)19)14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3/t16-/m0/s1
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InChIKey
MYYQROWSYYOFPQ-INIZCTEOSA-N
Physicochemical Property
logP
4.08302
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
29.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 44231030
SID: 85250273
ChEMBL ID
CHEMBL1829742
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 = 353 nM
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