General Information of the Compound
Compound ID
CP0568239
Compound Name
2-(4-bromophenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
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Structure
Formula
C13H10BrN3
Molecular Weight
288.148
Canonical SMILES
Cc1ccc2nc(nn2c1)-c1ccc(Br)cc1
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InChI
InChI=1S/C13H10BrN3/c1-9-2-7-12-15-13(16-17(12)8-9)10-3-5-11(14)6-4-10/h2-8H,1H3
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InChIKey
SIIURXZERGCUNT-UHFFFAOYSA-N
Physicochemical Property
logP
3.46722
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 82566416
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: PT02265, Aryl hydrocarbon receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000704 HepG2-Lucia AhR Homo sapiens (Human)  1
1
EC50 > 10000 nM
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