General Information of the Compound
Compound ID
CP0848498
Compound Name
6-Cyano-pyridine-3-sulfonicacid(6-fluoro-quinolin-8-yl)-amide
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Structure
Formula
C15H9FN4O2S
Molecular Weight
328.328
Canonical SMILES
N#Cc1ccc(S(=O)(=O)Nc2cc(F)cc3cccnc23)cn1
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InChI
InChI=1S/C15H9FN4O2S/c16-11-6-10-2-1-5-18-15(10)14(7-11)20-23(21,22)13-4-3-12(8-17)19-9-13/h1-7,9,20H
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InChIKey
YFJWLCDOEDDZFN-UHFFFAOYSA-N
Physicochemical Property
logP
2.44138
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
95.74
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 60164306
SID: 144111910
ChEMBL ID
CHEMBL3934992
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 = 3750 nM
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