General Information of the Compound
Compound ID
CP0893180
Compound Name
N-(2-(2,4-dichlorophenyl)-3-(oxepan-4-ylamino)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
    Show/Hide
Structure
Formula
C20H22Cl2N4O3S
Molecular Weight
469.394
Canonical SMILES
CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(NC3CCCOCC3)n2c1
    Show/Hide
InChI
InChI=1S/C20H22Cl2N4O3S/c1-30(27,28)25-15-5-7-18-24-19(16-6-4-13(21)11-17(16)22)20(26(18)12-15)23-14-3-2-9-29-10-8-14/h4-7,11-12,14,23,25H,2-3,8-10H2,1H3
    Show/Hide
InChIKey
ULQGVCKWTREQHQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6606
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
84.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 121309906
ChEMBL ID
CHEMBL4287475
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