General Information of the Compound
Compound ID
CP0945648
Compound Name
4-((2-(4-chlorophenyl)-6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C25H24ClN3O2
Molecular Weight
433.939
Canonical SMILES
COc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C25H24ClN3O2/c1-30-23-5-3-2-4-21(23)19-8-11-24-27-25(18-6-9-20(26)10-7-18)22(29(24)16-19)17-28-12-14-31-15-13-28/h2-11,16H,12-15,17H2,1H3
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InChIKey
CLACZPUCNNNHSO-UHFFFAOYSA-N
Physicochemical Property
logP
5.1625
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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: 121309644
ChEMBL ID
CHEMBL4293781
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: PT04657, Solute carrier family 2, facilitated glucose transporter member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
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