General Information of the Compound
Compound ID
CP0909197
Compound Name
N-(2-(2,4-dichlorophenyl)-3-((6-oxohexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methyl)imidazo[1,2-a]pyridin-6-yl)methanesulfonamide
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Structure
Formula
C22H23Cl2N5O3S
Molecular Weight
508.431
Canonical SMILES
CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN3CCN4C(=O)CCC4C3)n2c1
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InChI
InChI=1S/C22H23Cl2N5O3S/c1-33(31,32)26-15-3-6-20-25-22(17-5-2-14(23)10-18(17)24)19(29(20)11-15)13-27-8-9-28-16(12-27)4-7-21(28)30/h2-3,5-6,10-11,16,26H,4,7-9,12-13H2,1H3
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InChIKey
RFEHDMWCQPDANQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.4862
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
87.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
33

"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: 121309915
ChEMBL ID
CHEMBL4277183
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