General Information of the Compound
Compound ID
CP0968264
Compound Name
Pyridine-3-sulfonicacid(6-methoxy-quinolin-8-yl)-amide
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Structure
Formula
C15H13N3O3S
Molecular Weight
315.354
Canonical SMILES
COc1cc(NS(=O)(=O)c2cccnc2)c2ncccc2c1
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InChI
InChI=1S/C15H13N3O3S/c1-21-12-8-11-4-2-7-17-15(11)14(9-12)18-22(19,20)13-5-3-6-16-10-13/h2-10,18H,1H3
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InChIKey
BJFQPVHTQCRBRY-UHFFFAOYSA-N
Physicochemical Property
logP
2.4392
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
81.18
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 60163924
SID: 144111564
ChEMBL ID
CHEMBL3960461
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 = 2800 nM
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