General Information of the Compound
Compound ID
CP0869384
Compound Name
N-(5-Benzyloxy-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C22H18N2O3S
Molecular Weight
390.464
Canonical SMILES
O=S(=O)(Nc1ccc(OCc2ccccc2)c2cccnc12)c1ccccc1
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InChI
InChI=1S/C22H18N2O3S/c25-28(26,18-10-5-2-6-11-18)24-20-13-14-21(19-12-7-15-23-22(19)20)27-16-17-8-3-1-4-9-17/h1-15,24H,16H2
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InChIKey
ZHROBNASVDQGHE-UHFFFAOYSA-N
Physicochemical Property
logP
4.6146
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 68183148
ChEMBL ID
CHEMBL3907842
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 = 25000 nM
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