General Information of the Compound
Compound ID
CP0909247
Compound Name
2-(Quinolin-8-ylsulfamoyl)-benzoic acid methyl ester
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Structure
Formula
C17H14N2O4S
Molecular Weight
342.376
Canonical SMILES
COC(=O)c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
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InChI
InChI=1S/C17H14N2O4S/c1-23-17(20)13-8-2-3-10-15(13)24(21,22)19-14-9-4-6-12-7-5-11-18-16(12)14/h2-11,19H,1H3
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InChIKey
CYHVVCUOMAKAGC-UHFFFAOYSA-N
Physicochemical Property
logP
2.8222
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
85.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 8823684
ChEMBL ID
CHEMBL3942863
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 = 58100 nM
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