General Information of the Compound
Compound ID
CP0415356
Compound Name
2-cyano-N-quinolin-8-ylbenzenesulfonamide
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Structure
Formula
C16H11N3O2S
Molecular Weight
309.35
Canonical SMILES
O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C#N
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InChI
InChI=1S/C16H11N3O2S/c17-11-13-5-1-2-9-15(13)22(20,21)19-14-8-3-6-12-7-4-10-18-16(12)14/h1-10,19H
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InChIKey
CVPOFUJJTSSBMR-UHFFFAOYSA-N
Physicochemical Property
logP
2.90728
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
82.85
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 28046592
SID: 144111474
ChEMBL ID
CHEMBL3897801
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 = 815 nM
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