General Information of the Compound
Compound ID
CP0548741
Compound Name
3-[6-(1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenol
    Show/Hide
Structure
Formula
C15H10N4OS
Molecular Weight
294.339
Canonical SMILES
Oc1cccc(c1)-c1nnc2ccc(cn12)-c1ccns1
    Show/Hide
InChI
InChI=1S/C15H10N4OS/c20-12-3-1-2-10(8-12)15-18-17-14-5-4-11(9-19(14)15)13-6-7-16-21-13/h1-9,20H
    Show/Hide
InChIKey
PVUSXURHMCRIEU-UHFFFAOYSA-N
Physicochemical Property
logP
3.2254
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
63.31
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
21

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155534198
ChEMBL ID
CHEMBL4469865
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 = 9000 nM
   TI
   LI
   LO
   TS