General Information of the Compound
Compound ID
CP0383235
Compound Name
3-[4-(oxan-4-yloxy)benzoyl]-1,3-oxazolidin-2-one
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Structure
Formula
C15H17NO5
Molecular Weight
291.303
Canonical SMILES
O=C(N1CCOC1=O)c1ccc(OC2CCOCC2)cc1
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InChI
InChI=1S/C15H17NO5/c17-14(16-7-10-20-15(16)18)11-1-3-12(4-2-11)21-13-5-8-19-9-6-13/h1-4,13H,5-10H2
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InChIKey
WYQHVOGKBYHUCB-UHFFFAOYSA-N
Physicochemical Property
logP
1.8368
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
65.07
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 145978699
ChEMBL ID
CHEMBL4203674
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 = 330 nM
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