General Information of the Compound
Compound ID
CP0947220
Compound Name
8-Benzene sulfonyl amino-quinoline-4-carboxylic acid methylamide
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Structure
Formula
C17H15N3O3S
Molecular Weight
341.392
Canonical SMILES
CNC(=O)c1ccnc2c(NS(=O)(=O)c3ccccc3)cccc12
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InChI
InChI=1S/C17H15N3O3S/c1-18-17(21)14-10-11-19-16-13(14)8-5-9-15(16)20-24(22,23)12-6-3-2-4-7-12/h2-11,20H,1H3,(H,18,21)
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InChIKey
ZPOYMOMUWHOHPK-UHFFFAOYSA-N
Physicochemical Property
logP
2.3952
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
88.16
Hydrogen Bond Donor Count
2
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: 68183334
ChEMBL ID
CHEMBL3940785
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 = 6240 nM
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