General Information of the Compound
Compound ID
CP0913207
Compound Name
2-(4-Chloro-phenyl)-3-(1,1-dioxo-1lambda(6)-thiomorpholin-4-ylmethyl)-6-phenyl-imidazo[1,2-a]pyridine
    Show/Hide
Structure
Formula
C24H22ClN3O2S
Molecular Weight
451.979
Canonical SMILES
O=S1(=O)CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1
    Show/Hide
InChI
InChI=1S/C24H22ClN3O2S/c25-21-9-6-19(7-10-21)24-22(17-27-12-14-31(29,30)15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18/h1-11,16H,12-15,17H2
    Show/Hide
InChIKey
KICKHUULJWBHJI-UHFFFAOYSA-N
Physicochemical Property
logP
4.5521
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
54.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 121309913
ChEMBL ID
CHEMBL4281346
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
   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 > 100000 nM
   TI
   LI
   LO
   TS