General Information of the Compound
Compound ID
CP0543774
Compound Name
2-(cyclopropylsulfonylamino)-N-(2,4-diethoxyphenyl)benzamide
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Structure
Formula
C20H24N2O5S
Molecular Weight
404.488
Canonical SMILES
CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)C2CC2)c(OCC)c1
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InChI
InChI=1S/C20H24N2O5S/c1-3-26-14-9-12-18(19(13-14)27-4-2)21-20(23)16-7-5-6-8-17(16)22-28(24,25)15-10-11-15/h5-9,12-13,15,22H,3-4,10-11H2,1-2H3,(H,21,23)
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InChIKey
CGUGDEHUAYJYTH-UHFFFAOYSA-N
Physicochemical Property
logP
3.6404
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
93.73
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 168277932
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 = 1090 nM
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