General Information of the Compound
Compound ID
CP0955708
Compound Name
4-((2-(4-chlorophenyl)-6-(3,5-difluoropyridin-4-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C23H19ClF2N4O
Molecular Weight
440.881
Canonical SMILES
Fc1cncc(F)c1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C23H19ClF2N4O/c24-17-4-1-15(2-5-17)23-20(14-29-7-9-31-10-8-29)30-13-16(3-6-21(30)28-23)22-18(25)11-27-12-19(22)26/h1-6,11-13H,7-10,14H2
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InChIKey
MJINHKJNRVHGAE-UHFFFAOYSA-N
Physicochemical Property
logP
4.8271
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
42.66
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: 121309874
ChEMBL ID
CHEMBL4287018
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
   TI
   LI
   LO
   TS
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS