General Information of the Compound
Compound ID
CP0905381
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((4-(4-fluorobenzoyl)piperazin-1-yl)methyl)imidazo[1,2-a]pyridin-6-yl)-N-methylmethanesulfonamide
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Structure
Formula
C27H26Cl2FN5O3S
Molecular Weight
590.508
Canonical SMILES
CN(c1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN(C(=O)c4ccc(F)cc4)CC3)n2c1)S(C)(=O)=O
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InChI
InChI=1S/C27H26Cl2FN5O3S/c1-32(39(2,37)38)21-8-10-25-31-26(22-9-5-19(28)15-23(22)29)24(35(25)16-21)17-33-11-13-34(14-12-33)27(36)18-3-6-20(30)7-4-18/h3-10,15-16H,11-14,17H2,1-2H3
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InChIKey
LPDSQLUSQAWFBL-UHFFFAOYSA-N
Physicochemical Property
logP
4.801
Rotatable Bonds
6
Heavy Atom Count
39
Polar Areas
78.23
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
39

"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: 121309907
ChEMBL ID
CHEMBL4286447
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