General Information of the Compound
Compound ID
CP0519980
Compound Name
2,3-dichloro-N-[5-chloro-3-(2,2-dimethylpropoxy)pyrazin-2-yl]benzenesulfonamide
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Structure
Formula
C15H16Cl3N3O3S
Molecular Weight
424.737
Canonical SMILES
CC(C)(C)COc1nc(Cl)cnc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C15H16Cl3N3O3S/c1-15(2,3)8-24-14-13(19-7-11(17)20-14)21-25(22,23)10-6-4-5-9(16)12(10)18/h4-7H,8H2,1-3H3,(H,19,21)
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InChIKey
NGVKSLHMLONRFQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.6625
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 145955548
ChEMBL ID
CHEMBL4169258
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 = 7943.28 nM
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