General Information of the Compound
Compound ID
CP0899447
Compound Name
4-((2-(4-chlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-2-one
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Structure
Formula
C20H17ClN6O2
Molecular Weight
408.849
Canonical SMILES
O=C1CN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CCN1
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InChI
InChI=1S/C20H17ClN6O2/c21-15-4-1-13(2-5-15)19-16(10-26-8-7-22-18(28)11-26)27-9-14(3-6-17(27)24-19)20-23-12-29-25-20/h1-6,9,12H,7-8,10-11H2,(H,22,28)
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InChIKey
KAHXGCOCWQUXID-UHFFFAOYSA-N
Physicochemical Property
logP
2.6365
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
88.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 121309823
ChEMBL ID
CHEMBL4280482
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