General Information of the Compound
Compound ID
CP0577389
Compound Name
N-[2-(cyclopropylmethoxy)phenyl]-2-(cyclopropylsulfonylamino)benzamide
    Show/Hide
Structure
Formula
C20H22N2O4S
Molecular Weight
386.473
Canonical SMILES
O=C(Nc1ccccc1OCC1CC1)c1ccccc1NS(=O)(=O)C1CC1
    Show/Hide
InChI
InChI=1S/C20H22N2O4S/c23-20(21-18-7-3-4-8-19(18)26-13-14-9-10-14)16-5-1-2-6-17(16)22-27(24,25)15-11-12-15/h1-8,14-15,22H,9-13H2,(H,21,23)
    Show/Hide
InChIKey
PPLHOTKOWBYPDT-UHFFFAOYSA-N
Physicochemical Property
logP
3.6318
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 168274093
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 = 1360 nM
   TI
   LI
   LO
   TS