General Information of the Compound
Compound ID
CP0883733
Compound Name
(4-((2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(1-methyl-1H-pyrazol-4-yl)methanone
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Structure
Formula
C29H27ClN6O
Molecular Weight
511.029
Canonical SMILES
Cn1cc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cn1
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InChI
InChI=1S/C29H27ClN6O/c1-33-18-24(17-31-33)29(37)35-15-13-34(14-16-35)20-26-28(22-7-10-25(30)11-8-22)32-27-12-9-23(19-36(26)27)21-5-3-2-4-6-21/h2-12,17-19H,13-16,20H2,1H3
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InChIKey
HLWVJWRYDAZWOM-UHFFFAOYSA-N
Physicochemical Property
logP
5.0132
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
58.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
37

"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: 121309789
ChEMBL ID
CHEMBL4281261
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