General Information of the Compound
Compound ID
CP0407937
Compound Name
N-[5-(4-cyano-2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]acetamide
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Structure
Formula
C16H13N5O
Molecular Weight
291.314
Canonical SMILES
CC(=O)Nc1cc(-c2ccc(cc2C)C#N)n2ncnc2c1
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InChI
InChI=1S/C16H13N5O/c1-10-5-12(8-17)3-4-14(10)15-6-13(20-11(2)22)7-16-18-9-19-21(15)16/h3-7,9H,1-2H3,(H,20,22)
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InChIKey
SOADHZFGKVPPAW-UHFFFAOYSA-N
Physicochemical Property
logP
2.5348
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
83.08
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 122540759
ChEMBL ID
CHEMBL4081861
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 = 70 nM
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