General Information of the Compound
Compound ID
CP0576374
Compound Name
N-(2-ethoxy-5-fluorophenyl)-2-(ethylsulfonylamino)-5-methylbenzamide
    Show/Hide
Structure
Formula
C18H21FN2O4S
Molecular Weight
380.441
Canonical SMILES
CCOc1ccc(F)cc1NC(=O)c1cc(C)ccc1NS(=O)(=O)CC
    Show/Hide
InChI
InChI=1S/C18H21FN2O4S/c1-4-25-17-9-7-13(19)11-16(17)20-18(22)14-10-12(3)6-8-15(14)21-26(23,24)5-2/h6-11,21H,4-5H2,1-3H3,(H,20,22)
    Show/Hide
InChIKey
FABCQSODICDAKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.54672
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 168276174
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 = 80 nM
   TI
   LI
   LO
   TS