General Information of the Compound
Compound ID
CP0866933
Compound Name
Quinoline-3-sulfonic acid quinolin-8-ylamide
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Structure
Formula
C18H13N3O2S
Molecular Weight
335.388
Canonical SMILES
O=S(=O)(Nc1cccc2cccnc12)c1cnc2ccccc2c1
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InChI
InChI=1S/C18H13N3O2S/c22-24(23,15-11-14-5-1-2-8-16(14)20-12-15)21-17-9-3-6-13-7-4-10-19-18(13)17/h1-12,21H
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InChIKey
QPMJGOJZAIBQQY-UHFFFAOYSA-N
Physicochemical Property
logP
3.5838
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
71.95
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: 68183449
ChEMBL ID
CHEMBL3916416
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 = 2060 nM
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