General Information of the Compound
Compound ID
CP0545805
Compound Name
3-[6-oxo-6-(2-oxo-1,3-oxazolidin-3-yl)hexyl]benzoic acid
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Structure
Formula
C16H19NO5
Molecular Weight
305.33
Canonical SMILES
OC(=O)c1cccc(CCCCCC(=O)N2CCOC2=O)c1
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InChI
InChI=1S/C16H19NO5/c18-14(17-9-10-22-16(17)21)8-3-1-2-5-12-6-4-7-13(11-12)15(19)20/h4,6-7,11H,1-3,5,8-10H2,(H,19,20)
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InChIKey
BWUSZSYYPXVRFT-UHFFFAOYSA-N
Physicochemical Property
logP
2.4665
Rotatable Bonds
7
Heavy Atom Count
22
Polar Areas
83.91
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 145967350
ChEMBL ID
CHEMBL4210462
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 > 20000 nM
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