General Information of the Compound
Compound ID
CP0547304
Compound Name
3-[6-(3-fluoro-4-hydroxyphenyl)hexanoyl]-1,3-oxazolidin-2-one
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Structure
Formula
C15H18FNO4
Molecular Weight
295.31
Canonical SMILES
Oc1ccc(CCCCCC(=O)N2CCOC2=O)cc1F
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InChI
InChI=1S/C15H18FNO4/c16-12-10-11(6-7-13(12)18)4-2-1-3-5-14(19)17-8-9-21-15(17)20/h6-7,10,18H,1-5,8-9H2
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InChIKey
JPKLFPWCXSDZOS-UHFFFAOYSA-N
Physicochemical Property
logP
2.613
Rotatable Bonds
6
Heavy Atom Count
21
Polar Areas
66.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 145965548
ChEMBL ID
CHEMBL4212645
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: PT03010, N-acylethanolamine-hydrolyzing acid amidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 160 nM
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