General Information of the Compound
Compound ID
CP0130448
Compound Name
5-chloro-2-methoxy-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzenesulfonamide
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Structure
Formula
C15H13ClN2O3S3
Molecular Weight
400.934
Canonical SMILES
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1
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InChI
InChI=1S/C15H13ClN2O3S3/c1-21-12-6-3-9(16)7-14(12)24(19,20)18-10-4-5-11-13(8-10)23-15(17-11)22-2/h3-8,18H,1-2H3
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InChIKey
LEECFTLKYBWOCK-UHFFFAOYSA-N
Physicochemical Property
logP
4.481
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
24

"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: 50839898
ChEMBL ID
CHEMBL4874369
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: PT06376, Urea transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 5000 nM
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