General Information of the Compound
Compound ID
CP0865276
Compound Name
4-((6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl)thiomorpholine
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Structure
Formula
C19H21N3S
Molecular Weight
323.465
Canonical SMILES
Cc1ccc2nc(-c3ccccc3)c(CN3CCSCC3)n2c1
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InChI
InChI=1S/C19H21N3S/c1-15-7-8-18-20-19(16-5-3-2-4-6-16)17(22(18)13-15)14-21-9-11-23-12-10-21/h2-8,13H,9-12,14H2,1H3
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InChIKey
XOSJREHQEMLOML-UHFFFAOYSA-N
Physicochemical Property
logP
3.85852
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
20.54
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 3457103
ChEMBL ID
CHEMBL1324254
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 > 100000 nM
   TI
   LI
   LO
   TS