General Information of the Compound
Compound ID
CP0204569
Compound Name
5-fluoro-2-methoxy-N-(pyridin-3-yl)benzenesulfonamide
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Structure
Formula
C12H11FN2O3S
Molecular Weight
282.296
Canonical SMILES
COc1ccc(F)cc1S(=O)(=O)Nc1cccnc1
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InChI
InChI=1S/C12H11FN2O3S/c1-18-11-5-4-9(13)7-12(11)19(16,17)15-10-3-2-6-14-8-10/h2-8,15H,1H3
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InChIKey
RQSBJKFFDPIXKJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0301
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
68.29
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 16654595
ChEMBL ID
CHEMBL568090
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: PT01329, Alkaline phosphatase, tissue-nonspecific isozyme
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 1290 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1290 nM