General Information of the Compound
Compound ID
CP0541723
Compound Name
4-[6-(3-aminophenoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
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Structure
Formula
C16H15N7O2
Molecular Weight
337.343
Canonical SMILES
CCn1c(nc2cnc(Oc3cccc(N)c3)cc12)-c1nonc1N
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InChI
InChI=1S/C16H15N7O2/c1-2-23-12-7-13(24-10-5-3-4-9(17)6-10)19-8-11(12)20-16(23)14-15(18)22-25-21-14/h3-8H,2,17H2,1H3,(H2,18,22)
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InChIKey
JKABLSMROTXCMJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.4579
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
130.9
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).

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PubChem ID
CID: 11404963
SID: 16500522
ChEMBL ID
CHEMBL373419
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 = 18 nM
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