General Information of the Compound
Compound ID
CP0575665
Compound Name
2,3-dichloro-N-[5-chloro-3-(pyrimidin-5-ylmethoxy)pyrazin-2-yl]benzenesulfonamide
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Structure
Formula
C15H10Cl3N5O3S
Molecular Weight
446.703
Canonical SMILES
Clc1cnc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCc2cncnc2)n1
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InChI
InChI=1S/C15H10Cl3N5O3S/c16-10-2-1-3-11(13(10)18)27(24,25)23-14-15(22-12(17)6-21-14)26-7-9-4-19-8-20-5-9/h1-6,8H,7H2,(H,21,23)
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InChIKey
GDHDULCZBXCQBR-UHFFFAOYSA-N
Physicochemical Property
logP
3.6066
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
106.96
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 10195081
SID: 15191440
ChEMBL ID
CHEMBL4162097
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 = 12.59 nM
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