General Information of the Compound
Compound ID
CP0887577
Compound Name
2-(4-chlorophenyl)-3-((4-methylpiperazin-1-yl)methyl)-6-phenylimidazo[1,2-a]pyridine
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Structure
Formula
C25H25ClN4
Molecular Weight
416.956
Canonical SMILES
CN1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C25H25ClN4/c1-28-13-15-29(16-14-28)18-23-25(20-7-10-22(26)11-8-20)27-24-12-9-21(17-30(23)24)19-5-3-2-4-6-19/h2-12,17H,13-16,18H2,1H3
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InChIKey
GNGNUDRNKYYQHN-UHFFFAOYSA-N
Physicochemical Property
logP
5.0691
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
23.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
30

"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: 121309678
ChEMBL ID
CHEMBL4284054
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
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