General Information of the Compound
Compound ID
CP0869088
Compound Name
N-(7-Chloro-quinolin-8-yl)-benzenesulfonamide
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Structure
Formula
C15H11ClN2O2S
Molecular Weight
318.785
Canonical SMILES
O=S(=O)(Nc1c(Cl)ccc2cccnc12)c1ccccc1
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InChI
InChI=1S/C15H11ClN2O2S/c16-13-9-8-11-5-4-10-17-14(11)15(13)18-21(19,20)12-6-2-1-3-7-12/h1-10,18H
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InChIKey
MHMQSPTVSYDGEK-UHFFFAOYSA-N
Physicochemical Property
logP
3.689
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: 60164005
SID: 144111646
ChEMBL ID
CHEMBL3893468
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 = 100000 nM
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