General Information of the Compound
Compound ID
CP0963394
Compound Name
Pyridine-3-sulfonicacid(5-chloro-quinolin-8-yl)-amide
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Structure
Formula
C14H10ClN3O2S
Molecular Weight
319.773
Canonical SMILES
O=S(=O)(Nc1ccc(Cl)c2cccnc12)c1cccnc1
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InChI
InChI=1S/C14H10ClN3O2S/c15-12-5-6-13(14-11(12)4-2-8-17-14)18-21(19,20)10-3-1-7-16-9-10/h1-9,18H
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InChIKey
CSZMVUOJRNBVLX-UHFFFAOYSA-N
Physicochemical Property
logP
3.084
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
71.95
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 60163925
SID: 144111565
ChEMBL ID
CHEMBL3958707
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 = 1780 nM
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