General Information of the Compound
Compound ID
CP0546775
Compound Name
2,3-dichloro-N-(5,6-difluoro-3-methoxypyrazin-2-yl)benzenesulfonamide
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Structure
Formula
C11H7Cl2F2N3O3S
Molecular Weight
370.164
Canonical SMILES
COc1nc(F)c(F)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C11H7Cl2F2N3O3S/c1-21-11-10(16-8(14)9(15)17-11)18-22(19,20)6-4-2-3-5(12)7(6)13/h2-4H,1H3,(H,16,18)
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InChIKey
DIZPSQNBTJEHIM-UHFFFAOYSA-N
Physicochemical Property
logP
2.871
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 145959198
ChEMBL ID
CHEMBL4162364
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 = 1 nM
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