General Information of the Compound
Compound ID
CP0469864
Compound Name
5-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine
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Structure
Formula
C13H11N3
Molecular Weight
209.252
Canonical SMILES
Cc1ccc(cc1)-c1cccc2ncnn12
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InChI
InChI=1S/C13H11N3/c1-10-5-7-11(8-6-10)12-3-2-4-13-14-9-15-16(12)13/h2-9H,1H3
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InChIKey
NKKSLQNLGGIJOH-UHFFFAOYSA-N
Physicochemical Property
logP
2.70472
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
30.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
16

"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: 137636406
ChEMBL ID
CHEMBL4061916
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: PT01988, Prolyl hydroxylase EGLN2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 5600 nM
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