General Information of the Compound
Compound ID
CP0473845
Compound Name
2,3-dichloro-N-(6-methoxy-2-oxo-1-propyl-3H-benzimidazol-5-yl)benzenesulfonamide
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Structure
Formula
C17H17Cl2N3O4S
Molecular Weight
430.313
Canonical SMILES
CCCn1c2cc(OC)c(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2[nH]c1=O
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InChI
InChI=1S/C17H17Cl2N3O4S/c1-3-7-22-13-9-14(26-2)12(8-11(13)20-17(22)23)21-27(24,25)15-6-4-5-10(18)16(15)19/h4-6,8-9,21H,3,7H2,1-2H3,(H,20,23)
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InChIKey
QNHDRILHIGVZDC-UHFFFAOYSA-N
Physicochemical Property
logP
3.8558
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
93.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 118706825
ChEMBL ID
CHEMBL3310834
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 = 3981.07 nM
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