General Information of the Compound
Compound ID
CP0942404
Compound Name
N-(2,6-difluorophenyl)[(6-methoxyquinolin-8-yl)amino]sulfonamide
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Structure
Formula
C16H13F2N3O3S
Molecular Weight
365.361
Canonical SMILES
COc1cc(NS(=O)(=O)Nc2c(F)cccc2F)c2ncccc2c1
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InChI
InChI=1S/C16H13F2N3O3S/c1-24-11-8-10-4-3-7-19-15(10)14(9-11)20-25(22,23)21-16-12(17)5-2-6-13(16)18/h2-9,20-21H,1H3
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InChIKey
LACOCWQTDRBFKD-UHFFFAOYSA-N
Physicochemical Property
logP
3.2904
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 68183303
ChEMBL ID
CHEMBL3933528
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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