General Information of the Compound
Compound ID
CP0944210
Compound Name
4-((2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C19H17ClF3N3O
Molecular Weight
395.812
Canonical SMILES
FC(F)(F)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C19H17ClF3N3O/c20-15-4-1-13(2-5-15)18-16(12-25-7-9-27-10-8-25)26-11-14(19(21,22)23)3-6-17(26)24-18/h1-6,11H,7-10,12H2
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InChIKey
ITQAVPKHWTZPMQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.5057
Rotatable Bonds
3
Heavy Atom Count
27
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 121309692
ChEMBL ID
CHEMBL4283795
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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