General Information of the Compound
Compound ID
CP0567239
Compound Name
5,7-Dimethyl-2-[3-(pyridin-4-yl)-1H-benzimidazol-5-yl][1,2,4]triazolo[1,5-a]pyrimidine
    Show/Hide
Structure
Formula
C19H15N7
Molecular Weight
341.378
Canonical SMILES
Cc1cc(C)n2nc(nc2n1)-c1ccc2[nH]c(nc2c1)-c1ccncc1
    Show/Hide
InChI
InChI=1S/C19H15N7/c1-11-9-12(2)26-19(21-11)24-18(25-26)14-3-4-15-16(10-14)23-17(22-15)13-5-7-20-8-6-13/h3-10H,1-2H3,(H,22,23)
    Show/Hide
InChIKey
MQOWBTLQOGRBSK-UHFFFAOYSA-N
Physicochemical Property
logP
3.34644
Rotatable Bonds
2
Heavy Atom Count
26
Polar Areas
84.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 118525786
ChEMBL ID
CHEMBL4161146
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: PT01875, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 953 nM
   TI
   LI
   LO
   TS