General Information of the Compound
Compound ID
CP0913206
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
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Structure
Formula
C23H27Cl2N5O4S
Molecular Weight
540.473
Canonical SMILES
CC(C)(O)C(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(NS(C)(=O)=O)cn23)CC1
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InChI
InChI=1S/C23H27Cl2N5O4S/c1-23(2,32)22(31)29-10-8-28(9-11-29)14-19-21(17-6-4-15(24)12-18(17)25)26-20-7-5-16(13-30(19)20)27-35(3,33)34/h4-7,12-13,27,32H,8-11,14H2,1-3H3
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InChIKey
NUBFDFMELNTETA-UHFFFAOYSA-N
Physicochemical Property
logP
3.0947
Rotatable Bonds
6
Heavy Atom Count
35
Polar Areas
107.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 121309905
ChEMBL ID
CHEMBL4282385
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
Protein ID: PT06387, Solute carrier family 2, facilitated glucose transporter member 3
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: PT03440, Solute carrier family 2, facilitated glucose transporter member 4
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