General Information of the Compound
Compound ID
CP0575666
Compound Name
2,3-dichloro-N-[5-(hydroxymethyl)-3-methoxypyrazin-2-yl]benzenesulfonamide
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Structure
Formula
C12H11Cl2N3O4S
Molecular Weight
364.21
Canonical SMILES
COc1nc(CO)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C12H11Cl2N3O4S/c1-21-12-11(15-5-7(6-18)16-12)17-22(19,20)9-4-2-3-8(13)10(9)14/h2-5,18H,6H2,1H3,(H,15,17)
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InChIKey
PHZNKIMBWDVYKK-UHFFFAOYSA-N
Physicochemical Property
logP
2.0851
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
101.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
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: 58597374
ChEMBL ID
CHEMBL4168775
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 = 25.12 nM
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