General Information of the Compound
Compound ID
CP0891113
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)-N-methylmethanesulfonamide
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Structure
Formula
C24H29Cl2N5O4S
Molecular Weight
554.5
Canonical SMILES
CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)C(C)(C)O)CC3)n2c1)S(C)(=O)=O
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InChI
InChI=1S/C24H29Cl2N5O4S/c1-24(2,33)23(32)30-11-9-29(10-12-30)15-20-22(18-7-5-16(25)13-19(18)26)27-21-8-6-17(14-31(20)21)28(3)36(4,34)35/h5-8,13-14,33H,9-12,15H2,1-4H3
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InChIKey
BOULNMAIECOHND-UHFFFAOYSA-N
Physicochemical Property
logP
3.119
Rotatable Bonds
6
Heavy Atom Count
36
Polar Areas
98.46
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
36

"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: 121309922
ChEMBL ID
CHEMBL4294364
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