General Information of the Compound
Compound ID
CP0861219
Compound Name
3-Methyl-N-quinolin-8-yl-benzenesulfonamide
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Structure
Formula
C16H14N2O2S
Molecular Weight
298.367
Canonical SMILES
Cc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1
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InChI
InChI=1S/C16H14N2O2S/c1-12-5-2-8-14(11-12)21(19,20)18-15-9-3-6-13-7-4-10-17-16(13)15/h2-11,18H,1H3
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InChIKey
JWRBRBKQFHUWLP-UHFFFAOYSA-N
Physicochemical Property
logP
3.34402
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
59.06
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 51238102
SID: 144111300
ChEMBL ID
CHEMBL3917036
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 = 2090 nM
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