General Information of the Compound
Compound ID
CP0961032
Compound Name
2,4-Dichloro-N-(6-methoxy-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C16H12Cl2N2O3S
Molecular Weight
383.256
Canonical SMILES
COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c2ncccc2c1
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InChI
InChI=1S/C16H12Cl2N2O3S/c1-23-12-7-10-3-2-6-19-16(10)14(9-12)20-24(21,22)15-5-4-11(17)8-13(15)18/h2-9,20H,1H3
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InChIKey
FKXUNHBWSTWQHR-UHFFFAOYSA-N
Physicochemical Property
logP
4.351
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 68183309
ChEMBL ID
CHEMBL3965637
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: PT06104, Solute carrier family 40 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 100000 nM
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