General Information of the Compound
Compound ID
CP0915897
Compound Name
(6-ethoxy-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)diphenylmethanol
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Structure
Formula
C23H23N3O2
Molecular Weight
373.456
Canonical SMILES
CCOc1cc2c(cn1)nc(C(O)(c1ccccc1)c1ccccc1)n2CC
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InChI
InChI=1S/C23H23N3O2/c1-3-26-20-15-21(28-4-2)24-16-19(20)25-22(26)23(27,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16,27H,3-4H2,1-2H3
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InChIKey
YEURDSIYJYUYMZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1341
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
60.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 126726481
ChEMBL ID
CHEMBL4568541
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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