General Information of the Compound
Compound ID
CP0569320
Compound Name
N-(5-bromo-3-methylsulfanylpyrazin-2-yl)-5-chlorothiophene-2-sulfonamide
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Structure
Formula
C9H7BrClN3O2S3
Molecular Weight
400.732
Canonical SMILES
CSc1nc(Br)cnc1NS(=O)(=O)c1ccc(Cl)s1
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InChI
InChI=1S/C9H7BrClN3O2S3/c1-17-9-8(12-4-5(10)13-9)14-19(15,16)7-3-2-6(11)18-7/h2-4H,1H3,(H,12,14)
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InChIKey
OQEHCPBRUSXBPF-UHFFFAOYSA-N
Physicochemical Property
logP
3.4767
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
19

"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: 145950218
ChEMBL ID
CHEMBL4174872
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 = 3162.28 nM
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