General Information of the Compound
Compound ID
CP0866881
Compound Name
5-(4-chlorophenyl)-3-p-tolyl-1,2,4-oxadiazole
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Structure
Formula
C15H11ClN2O
Molecular Weight
270.719
Canonical SMILES
Cc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1
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InChI
InChI=1S/C15H11ClN2O/c1-10-2-4-11(5-3-10)14-17-15(19-18-14)12-6-8-13(16)9-7-12/h2-9H,1H3
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InChIKey
WNEJBJVALZSSCJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.36542
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: 803886
ChEMBL ID
CHEMBL3589973
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: PT01286, Bile acid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
EC50 = 410 nM
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