General Information of the Compound
Compound ID
CP0571069
Compound Name
N-(5-bromo-3-methoxypyrazin-2-yl)thiophene-2-sulfonamide
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Structure
Formula
C9H8BrN3O3S2
Molecular Weight
350.219
Canonical SMILES
COc1nc(Br)cnc1NS(=O)(=O)c1cccs1
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InChI
InChI=1S/C9H8BrN3O3S2/c1-16-9-8(11-5-6(10)12-9)13-18(14,15)7-3-2-4-17-7/h2-5H,1H3,(H,11,13)
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InChIKey
KSBYJSKJHOBUJD-UHFFFAOYSA-N
Physicochemical Property
logP
2.11
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
18

"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: 10193603
SID: 15189945
ChEMBL ID
CHEMBL4174488
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 = 630.96 nM
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