General Information of the Compound
Compound ID
CP0571075
Compound Name
N-(5-bromo-3-ethoxypyrazin-2-yl)-5-chlorothiophene-2-sulfonamide
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Structure
Formula
C10H9BrClN3O3S2
Molecular Weight
398.691
Canonical SMILES
CCOc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
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InChI
InChI=1S/C10H9BrClN3O3S2/c1-2-18-10-9(13-5-6(11)14-10)15-20(16,17)8-4-3-7(12)19-8/h3-5H,2H2,1H3,(H,13,15)
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InChIKey
VKKFMVDGGXWHKG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1535
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 10194274
SID: 15190634
ChEMBL ID
CHEMBL4165500
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 = 199.53 nM
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