General Information of the Compound
Compound ID
CP0541372
Compound Name
1-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)ethan-1-one
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Structure
Formula
C18H16N6O3
Molecular Weight
364.365
Canonical SMILES
CCn1c(nc2cnc(Oc3cccc(c3)C(C)=O)cc12)-c1nonc1N
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InChI
InChI=1S/C18H16N6O3/c1-3-24-14-8-15(26-12-6-4-5-11(7-12)10(2)25)20-9-13(14)21-18(24)16-17(19)23-27-22-16/h4-9H,3H2,1-2H3,(H2,19,23)
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InChIKey
URWYCZGOQGNVTP-UHFFFAOYSA-N
Physicochemical Property
logP
3.0783
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
121.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
27

"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: 11772907
SID: 16882125
ChEMBL ID
CHEMBL387338
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 = 13 nM
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