General Information of the Compound
Compound ID
CP0899357
Compound Name
4-((2-(4-chlorophenyl)-6-(methylsulfonyl)imidazo[1,2-a]pyridin-3-yl)methyl)morpholine
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Structure
Formula
C19H20ClN3O3S
Molecular Weight
405.907
Canonical SMILES
CS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
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InChI
InChI=1S/C19H20ClN3O3S/c1-27(24,25)16-6-7-18-21-19(14-2-4-15(20)5-3-14)17(23(18)12-16)13-22-8-10-26-11-9-22/h2-7,12H,8-11,13H2,1H3
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InChIKey
DTRZUFPMGMGZAL-UHFFFAOYSA-N
Physicochemical Property
logP
2.8904
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
63.91
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 121309919
ChEMBL ID
CHEMBL4291627
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