General Information of the Compound
Compound ID
CP0570352
Compound Name
N-(2-cyclopentyloxyphenyl)-2-(cyclopropylsulfonylamino)benzamide
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Structure
Formula
C21H24N2O4S
Molecular Weight
400.5
Canonical SMILES
O=C(Nc1ccccc1OC1CCCC1)c1ccccc1NS(=O)(=O)C1CC1
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InChI
InChI=1S/C21H24N2O4S/c24-21(17-9-3-4-10-18(17)23-28(25,26)16-13-14-16)22-19-11-5-6-12-20(19)27-15-7-1-2-8-15/h3-6,9-12,15-16,23H,1-2,7-8,13-14H2,(H,22,24)
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InChIKey
WRQVUPRGVGFSGN-UHFFFAOYSA-N
Physicochemical Property
logP
4.1644
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 168294649
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 = 3140 nM
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