General Information of the Compound
Compound ID
CP0855328
Compound Name
(4-((2-(2,4-dichlorophenyl)-6-(1,2,4-oxadiazol-3-yl)imidazo[1,2-a]pyridin-3-yl)methyl)piperazin-1-yl)(oxetan-3-yl)methanone
    Show/Hide
Structure
Formula
C24H22Cl2N6O3
Molecular Weight
513.385
Canonical SMILES
O=C(C1COC1)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CC1
    Show/Hide
InChI
InChI=1S/C24H22Cl2N6O3/c25-17-2-3-18(19(26)9-17)22-20(11-30-5-7-31(8-6-30)24(33)16-12-34-13-16)32-10-15(1-4-21(32)28-22)23-27-14-35-29-23/h1-4,9-10,14,16H,5-8,11-13H2
    Show/Hide
InChIKey
COOMELPXFPEBID-UHFFFAOYSA-N
Physicochemical Property
logP
3.6487
Rotatable Bonds
5
Heavy Atom Count
35
Polar Areas
89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
35

"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: 121309883
ChEMBL ID
CHEMBL4293573
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 <= 1000 nM
   TI
   LI
   LO
   TS