General Information of the Compound
Compound ID
CP0906662
Compound Name
cyclobutyl(4-((6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)methanone
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Structure
Formula
C27H32N4O2
Molecular Weight
444.579
Canonical SMILES
COc1cccc(-c2nc3ccc(C4CC4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1
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InChI
InChI=1S/C27H32N4O2/c1-33-23-7-3-6-21(16-23)26-24(31-17-22(19-8-9-19)10-11-25(31)28-26)18-29-12-14-30(15-13-29)27(32)20-4-2-5-20/h3,6-7,10-11,16-17,19-20H,2,4-5,8-9,12-15,18H2,1H3
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InChIKey
FFDHFWGXALLJSZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3316
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
50.08
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
33

"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: 121309751
ChEMBL ID
CHEMBL4291659
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