General Information of the Compound
Compound ID
CP0424691
Compound Name
5-(2-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
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Structure
Formula
C8H5FN2O2
Molecular Weight
180.138
Canonical SMILES
Fc1ccccc1-c1n[nH]c(=O)o1
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InChI
InChI=1S/C8H5FN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
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InChIKey
GRLMQTZJXSLUBV-UHFFFAOYSA-N
Physicochemical Property
logP
1.169
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
58.89
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 24902248
ChEMBL ID
CHEMBL4758707
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: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 11 nM
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