General Information of the Compound
Compound ID
CP0884275
Compound Name
2-(1-ethyl-2-(hydroxydiphenylmethyl)-1H-imidazo[4,5-c]pyridin-6-yloxy)ethanol
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Structure
Formula
C23H23N3O3
Molecular Weight
389.455
Canonical SMILES
CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cnc(OCCO)cc21
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InChI
InChI=1S/C23H23N3O3/c1-2-26-20-15-21(29-14-13-27)24-16-19(20)25-22(26)23(28,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,15-16,27-28H,2,13-14H2,1H3
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InChIKey
GIHHQSYEFBIQRM-UHFFFAOYSA-N
Physicochemical Property
logP
3.1065
Rotatable Bonds
7
Heavy Atom Count
29
Polar Areas
80.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 126726480
ChEMBL ID
CHEMBL4558484
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: PT05157, Acetyl-coenzyme A synthetase, cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 250 nM
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