General Information of the Compound
Compound ID
CP0874419
Compound Name
4-((6-phenyl-2-(pyridin-3-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C23H22N4O
Molecular Weight
370.456
Canonical SMILES
c1ccc(-c2ccc3nc(-c4cccnc4)c(CN4CCOCC4)n3c2)cc1
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InChI
InChI=1S/C23H22N4O/c1-2-5-18(6-3-1)20-8-9-22-25-23(19-7-4-10-24-15-19)21(27(22)16-20)17-26-11-13-28-14-12-26/h1-10,15-16H,11-14,17H2
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InChIKey
KCQDUHQNGFHYBS-UHFFFAOYSA-N
Physicochemical Property
logP
3.8955
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
42.66
Hydrogen Bond Donor Count
0
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: 121309689
ChEMBL ID
CHEMBL4288878
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 = 100000 nM
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