General Information of the Compound
Compound ID
CP0469141
Compound Name
5-(2,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
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Structure
Formula
C14H8Cl2N2O
Molecular Weight
291.137
Canonical SMILES
Clc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1
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InChI
InChI=1S/C14H8Cl2N2O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H
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InChIKey
WMJVJVBCUBCALD-UHFFFAOYSA-N
Physicochemical Property
logP
4.7104
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
38.92
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 695652
SID: 46524382
ChEMBL ID
CHEMBL3263111
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: PT06037, Aryl hydrocarbon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000827 HC11 Mus musculus (Mouse)  1
1
EC50 = 1200 nM
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