General Information of the Compound
Compound ID
CP0860786
Compound Name
1-(4-((2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-2-methylpropan-1-one
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Structure
Formula
C29H32N4O2
Molecular Weight
468.601
Canonical SMILES
COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C(C)C)CC2)c1
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InChI
InChI=1S/C29H32N4O2/c1-21(2)29(34)32-16-14-31(15-17-32)20-26-28(23-10-7-11-25(18-23)35-3)30-27-13-12-24(19-33(26)27)22-8-5-4-6-9-22/h4-13,18-19,21H,14-17,20H2,1-3H3
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InChIKey
JMNZTPHNXYJCLM-UHFFFAOYSA-N
Physicochemical Property
logP
4.9771
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 45970410
ChEMBL ID
CHEMBL4284427
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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