General Information of the Compound
Compound ID
CP0860797
Compound Name
1-{4-[2-(2,4-Dichloro-phenyl)-6-(1,1-dioxo-1lambda(6)-[1,2]thiazinan-2-yl)-imidazo[1,2-a]pyridin-3-ylmethyl]-piperazin-1-yl}-ethanone
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Structure
Formula
C24H27Cl2N5O3S
Molecular Weight
536.485
Canonical SMILES
CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(N4CCCCS4(=O)=O)cn23)CC1
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InChI
InChI=1S/C24H27Cl2N5O3S/c1-17(32)29-11-9-28(10-12-29)16-22-24(20-6-4-18(25)14-21(20)26)27-23-7-5-19(15-30(22)23)31-8-2-3-13-35(31,33)34/h4-7,14-15H,2-3,8-13,16H2,1H3
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InChIKey
MUISQLCXFNMDOQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9022
Rotatable Bonds
4
Heavy Atom Count
35
Polar Areas
78.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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).

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PubChem ID
CID: 121309898
ChEMBL ID
CHEMBL4292390
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