General Information of the Compound
Compound ID
CP0860750
Compound Name
cyclopropyl(4-((2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)methanone
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Structure
Formula
C29H30N4O2
Molecular Weight
466.585
Canonical SMILES
COc1cccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)C3CC3)CC2)c1
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InChI
InChI=1S/C29H30N4O2/c1-35-25-9-5-8-23(18-25)28-26(20-31-14-16-32(17-15-31)29(34)22-10-11-22)33-19-24(12-13-27(33)30-28)21-6-3-2-4-7-21/h2-9,12-13,18-19,22H,10-11,14-17,20H2,1H3
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InChIKey
KNMRIKNBAPXZOV-UHFFFAOYSA-N
Physicochemical Property
logP
4.7311
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: 45970442
ChEMBL ID
CHEMBL4282286
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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