General Information of the Compound
Compound ID
CP0891138
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((4-(pyridazine-4-carbonyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
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Structure
Formula
C24H23Cl2N7O3S
Molecular Weight
560.467
Canonical SMILES
CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccnnc4)CC3)n2c1
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InChI
InChI=1S/C24H23Cl2N7O3S/c1-37(35,36)30-18-3-5-22-29-23(19-4-2-17(25)12-20(19)26)21(33(22)14-18)15-31-8-10-32(11-9-31)24(34)16-6-7-27-28-13-16/h2-7,12-14,30H,8-11,15H2,1H3
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InChIKey
ADVAZMVHCQUELK-UHFFFAOYSA-N
Physicochemical Property
logP
3.4276
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
112.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
37

"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: 121309899
ChEMBL ID
CHEMBL4277893
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
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