General Information of the Compound
Compound ID
CP0322855
Compound Name
4-[1-ethyl-7-(piperazin-1-ylcarbonyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
    Show/Hide
Structure
Formula
C15H18N8O2
Molecular Weight
342.363
Canonical SMILES
CCn1c(nc2cncc(C(=O)N3CCNCC3)c12)-c1nonc1N
    Show/Hide
InChI
InChI=1S/C15H18N8O2/c1-2-23-12-9(15(24)22-5-3-17-4-6-22)7-18-8-10(12)19-14(23)11-13(16)21-25-20-11/h7-8,17H,2-6H2,1H3,(H2,16,21)
    Show/Hide
InChIKey
CUAJADFGIOFJQT-UHFFFAOYSA-N
Physicochemical Property
logP
0.1288
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
127.99
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
Complexity
25

"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: 25023717
ChEMBL ID
CHEMBL493066
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: PT01184, Rho-associated protein kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS