General Information of the Compound
Compound ID
CP0545784
Compound Name
2,3-dichloro-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzenesulfonamide
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Structure
Formula
C16H15Cl2N3O4S
Molecular Weight
416.286
Canonical SMILES
COc1cc2n(C)c(=O)n(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl
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InChI
InChI=1S/C16H15Cl2N3O4S/c1-20-11-7-10(13(25-3)8-12(11)21(2)16(20)22)19-26(23,24)14-6-4-5-9(17)15(14)18/h4-8,19H,1-3H3
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InChIKey
RTAFOJSIAMCXTI-UHFFFAOYSA-N
Physicochemical Property
logP
2.9932
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
82.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 118706820
ChEMBL ID
CHEMBL3310829
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1995.26 nM
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