General Information of the Compound
Compound ID
CP0961662
Compound Name
N-(6-Trifluoromethoxy-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C16H11F3N2O3S
Molecular Weight
368.336
Canonical SMILES
O=S(=O)(Nc1cc(OC(F)(F)F)cc2cccnc12)c1ccccc1
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InChI
InChI=1S/C16H11F3N2O3S/c17-16(18,19)24-12-9-11-5-4-8-20-15(11)14(10-12)21-25(22,23)13-6-2-1-3-7-13/h1-10,21H
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InChIKey
BIEOQOYDTSKGOG-UHFFFAOYSA-N
Physicochemical Property
logP
3.9342
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 68183221
ChEMBL ID
CHEMBL3892143
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 = 9000 nM
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