General Information of the Compound
Compound ID
CP0576375
Compound Name
N-(2-ethoxy-5-fluorophenyl)-2-(ethylsulfonylamino)benzamide
    Show/Hide
Structure
Formula
C17H19FN2O4S
Molecular Weight
366.414
Canonical SMILES
CCOc1ccc(F)cc1NC(=O)c1ccccc1NS(=O)(=O)CC
    Show/Hide
InChI
InChI=1S/C17H19FN2O4S/c1-3-24-16-10-9-12(18)11-15(16)19-17(21)13-7-5-6-8-14(13)20-25(22,23)4-2/h5-11,20H,3-4H2,1-2H3,(H,19,21)
    Show/Hide
InChIKey
PILABKLPSUWHPR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2383
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 168293260
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: PT04369, Mas-related G-protein coupled receptor member X1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 285 nM
   TI
   LI
   LO
   TS