General Information of the Compound
Compound ID
CP0899452
Compound Name
2-methoxy-1-(4-((2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)ethanone
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Structure
Formula
C28H30N4O3
Molecular Weight
470.573
Canonical SMILES
COCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C28H30N4O3/c1-34-20-27(33)31-15-13-30(14-16-31)19-25-28(22-9-6-10-24(17-22)35-2)29-26-12-11-23(18-32(25)26)21-7-4-3-5-8-21/h3-12,17-18H,13-16,19-20H2,1-2H3
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InChIKey
BEJURGWGSXWUHJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9675
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
59.31
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
35

"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: 45970498
ChEMBL ID
CHEMBL4289541
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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