General Information of the Compound
Compound ID
CP0569421
Compound Name
2-(cyclopropylsulfonylamino)-N-(2-ethoxyphenyl)-4-fluorobenzamide
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Structure
Formula
C18H19FN2O4S
Molecular Weight
378.425
Canonical SMILES
CCOc1ccccc1NC(=O)c1ccc(F)cc1NS(=O)(=O)C1CC1
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InChI
InChI=1S/C18H19FN2O4S/c1-2-25-17-6-4-3-5-15(17)20-18(22)14-10-7-12(19)11-16(14)21-26(23,24)13-8-9-13/h3-7,10-11,13,21H,2,8-9H2,1H3,(H,20,22)
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InChIKey
LPOZSQVCDXOQQZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.3808
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).

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PubChem ID
CID: 168295597
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 = 860 nM
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