General Information of the Compound
Compound ID
CP0860780
Compound Name
4-((2-(4-chlorophenyl)-6-(oxetan-3-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C21H22ClN3O2
Molecular Weight
383.879
Canonical SMILES
Clc1ccc(-c2nc3ccc(C4COC4)cn3c2CN2CCOCC2)cc1
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InChI
InChI=1S/C21H22ClN3O2/c22-18-4-1-15(2-5-18)21-19(12-24-7-9-26-10-8-24)25-11-16(17-13-27-14-17)3-6-20(25)23-21/h1-6,11,17H,7-10,12-14H2
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InChIKey
MWNRQEBOQGYZMU-UHFFFAOYSA-N
Physicochemical Property
logP
3.6007
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 121309847
ChEMBL ID
CHEMBL4284824
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 > 100000 nM
   TI
   LI
   LO
   TS