General Information of the Compound
Compound ID
CP0410958
Compound Name
3-(4-pentan-3-yloxybenzoyl)-1,3-oxazolidin-2-one
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Structure
Formula
C15H19NO4
Molecular Weight
277.32
Canonical SMILES
CCC(CC)Oc1ccc(cc1)C(=O)N1CCOC1=O
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InChI
InChI=1S/C15H19NO4/c1-3-12(4-2)20-13-7-5-11(6-8-13)14(17)16-9-10-19-15(16)18/h5-8,12H,3-4,9-10H2,1-2H3
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InChIKey
UQCFNGJLTHXVEA-UHFFFAOYSA-N
Physicochemical Property
logP
2.8464
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
55.84
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 145966471
ChEMBL ID
CHEMBL4212400
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 = 480 nM
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