General Information of the Compound
Compound ID
CP0891104
Compound Name
4-((2-(4-chlorophenyl)-6-(tetrahydro-2H-pyran-4-yl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C23H26ClN3O2
Molecular Weight
411.933
Canonical SMILES
Clc1ccc(-c2nc3ccc(C4CCOCC4)cn3c2CN2CCOCC2)cc1
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InChI
InChI=1S/C23H26ClN3O2/c24-20-4-1-18(2-5-20)23-21(16-26-9-13-29-14-10-26)27-15-19(3-6-22(27)25-23)17-7-11-28-12-8-17/h1-6,15,17H,7-14,16H2
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InChIKey
RODHQKMAWSJTRR-UHFFFAOYSA-N
Physicochemical Property
logP
4.3809
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
39
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 121309784
ChEMBL ID
CHEMBL4292734
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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