General Information of the Compound
Compound ID
CP0860774
Compound Name
(4-((2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
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Structure
Formula
C27H31ClN4O2
Molecular Weight
479.024
Canonical SMILES
O=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1
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InChI
InChI=1S/C27H31ClN4O2/c28-23-6-3-20(4-7-23)26-24(32-17-22(19-1-2-19)5-8-25(32)29-26)18-30-11-13-31(14-12-30)27(33)21-9-15-34-16-10-21/h3-8,17,19,21H,1-2,9-16,18H2
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InChIKey
PXYUKCWYVDFUPZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6029
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 121309804
ChEMBL ID
CHEMBL4292886
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
Protein ID: PT06319, Solute carrier family 2, facilitated glucose transporter member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS