General Information of the Compound
Compound ID
CP0495592
Compound Name
5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-ol
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Structure
Formula
C8H4Cl2N2O2
Molecular Weight
231.038
Canonical SMILES
Oc1nnc(o1)-c1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C8H4Cl2N2O2/c9-5-2-1-4(3-6(5)10)7-11-12-8(13)14-7/h1-3H,(H,12,13)
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InChIKey
UOMZJZLXDZFENX-UHFFFAOYSA-N
Physicochemical Property
logP
2.749
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
59.15
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 615475
ChEMBL ID
CHEMBL4794683
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 = 430 nM
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