General Information of the Compound
Compound ID
CP0899458
Compound Name
1-(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)-3-methylbutan-1-one
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Structure
Formula
C29H31ClN4O
Molecular Weight
487.047
Canonical SMILES
CC(C)CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
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InChI
InChI=1S/C29H31ClN4O/c1-21(2)18-28(35)33-16-14-32(15-17-33)20-26-29(23-8-11-25(30)12-9-23)31-27-13-10-24(19-34(26)27)22-6-4-3-5-7-22/h3-13,19,21H,14-18,20H2,1-2H3
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InChIKey
NRFIUPNLKUVBHD-UHFFFAOYSA-N
Physicochemical Property
logP
6.012
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
40.85
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 45970427
ChEMBL ID
CHEMBL4283603
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 <= 1000 nM
   TI
   LI
   LO
   TS