General Information of the Compound
Compound ID
CP0201256
Compound Name
4-[1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
    Show/Hide
Structure
Formula
C16H21N7O2
Molecular Weight
343.391
Canonical SMILES
CCn1c(nc2cncc(OCC3CCNCC3)c12)-c1nonc1N
    Show/Hide
InChI
InChI=1S/C16H21N7O2/c1-2-23-14-11(20-16(23)13-15(17)22-25-21-13)7-19-8-12(14)24-9-10-3-5-18-6-4-10/h7-8,10,18H,2-6,9H2,1H3,(H2,17,22)
    Show/Hide
InChIKey
FIFFDYNJQGROBO-UHFFFAOYSA-N
Physicochemical Property
logP
1.4618
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
116.91
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: 11256399
SID: 16341798
ChEMBL ID
CHEMBL521823
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 = 3 nM
   TI
   LI
   LO
   TS