General Information of the Compound
Compound ID
CP0883734
Compound Name
4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)-1-methylpiperazin-2-one
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Structure
Formula
C25H23ClN4O
Molecular Weight
430.939
Canonical SMILES
CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1=O
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InChI
InChI=1S/C25H23ClN4O/c1-28-13-14-29(17-24(28)31)16-22-25(19-7-10-21(26)11-8-19)27-23-12-9-20(15-30(22)23)18-5-3-2-4-6-18/h2-12,15H,13-14,16-17H2,1H3
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InChIKey
ADGNHDAHGYNARD-UHFFFAOYSA-N
Physicochemical Property
logP
4.5957
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 121309796
ChEMBL ID
CHEMBL4278008
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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