General Information of the Compound
Compound ID
CP0875315
Compound Name
4-((2-(4-chlorophenyl)-6-(2-(trifluoromethyl)phenyl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C25H21ClF3N3O
Molecular Weight
471.91
Canonical SMILES
FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C25H21ClF3N3O/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29/h1-10,15H,11-14,16H2
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InChIKey
OXWJWTTUBFGEBR-UHFFFAOYSA-N
Physicochemical Property
logP
6.1727
Rotatable Bonds
4
Heavy Atom Count
33
Polar Areas
29.77
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 121309666
ChEMBL ID
CHEMBL4286069
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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