General Information of the Compound
Compound ID
CP0548743
Compound Name
6-(furan-3-yl)-3-pyridin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
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Structure
Formula
C15H10N4O
Molecular Weight
262.272
Canonical SMILES
c1cc(co1)-c1ccc2nnc(-c3cccnc3)n2c1
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InChI
InChI=1S/C15H10N4O/c1-2-11(8-16-6-1)15-18-17-14-4-3-12(9-19(14)15)13-5-7-20-10-13/h1-10H
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InChIKey
NHMNXCQTSTUOAT-UHFFFAOYSA-N
Physicochemical Property
logP
3.0513
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
56.22
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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: 155526114
ChEMBL ID
CHEMBL4457965
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: PT03381, 5'-nucleotidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 97300 nM
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