General Information of the Compound
Compound ID
CP0860793
Compound Name
1-(4-((2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-2-methoxyethanone
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Structure
Formula
C23H22Cl2N6O3
Molecular Weight
501.374
Canonical SMILES
COCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1
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InChI
InChI=1S/C23H22Cl2N6O3/c1-33-13-21(32)30-8-6-29(7-9-30)12-19-22(17-4-3-16(24)10-18(17)25)27-20-5-2-15(11-31(19)20)23-26-14-34-28-23/h2-5,10-11,14H,6-9,12-13H2,1H3
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InChIKey
ZQNNFKSWYJUNCV-UHFFFAOYSA-N
Physicochemical Property
logP
3.6487
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
34

"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: 121309856
ChEMBL ID
CHEMBL4282670
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 <= 1000 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