General Information of the Compound
Compound ID
CP0535863
Compound Name
5-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)aniline
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Structure
Formula
C14H10ClN3O
Molecular Weight
271.707
Canonical SMILES
Nc1cc(Cl)ccc1-c1nc(no1)-c1ccccc1
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InChI
InChI=1S/C14H10ClN3O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,16H2
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InChIKey
KSCDMIPPJAMZBZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.6392
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
64.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 29274687
ChEMBL ID
CHEMBL3263112
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 = 1400 nM
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