General Information of the Compound
Compound ID
CP0076849
Compound Name
4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
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Structure
Formula
C10H10N6O
Molecular Weight
230.231
Canonical SMILES
CCn1c(nc2cnccc12)-c1nonc1N
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InChI
InChI=1S/C10H10N6O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3,(H2,11,15)
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InChIKey
UGHABJRZQKZAHP-UHFFFAOYSA-N
Physicochemical Property
logP
1.0834
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
95.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
17

"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: 23646578
ChEMBL ID
CHEMBL189657
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)  2
1
IC50 < 10 nM
   TI
   LI
   LO
   TS
2
IC50 = 19 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 13 nM