General Information of the Compound
Compound ID
CP0572520
Compound Name
2,3-dichloro-N-(5-ethoxy-3-methoxypyrazin-2-yl)benzenesulfonamide
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Structure
Formula
C13H13Cl2N3O4S
Molecular Weight
378.237
Canonical SMILES
CCOc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OC)n1
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InChI
InChI=1S/C13H13Cl2N3O4S/c1-3-22-10-7-16-12(13(17-10)21-2)18-23(19,20)9-6-4-5-8(14)11(9)15/h4-7H,3H2,1-2H3,(H,16,18)
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InChIKey
AGFSXEHQJPFTGW-UHFFFAOYSA-N
Physicochemical Property
logP
2.9915
Rotatable Bonds
6
Heavy Atom Count
23
Polar Areas
90.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 59168214
ChEMBL ID
CHEMBL4175972
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: PT01508, C-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 12.59 nM
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