General Information of the Compound
Compound ID
CP0576378
Compound Name
5-chloro-N-(2-ethoxyphenyl)-2-(ethylsulfonylamino)benzamide
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Structure
Formula
C17H19ClN2O4S
Molecular Weight
382.869
Canonical SMILES
CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)CC
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InChI
InChI=1S/C17H19ClN2O4S/c1-3-24-16-8-6-5-7-15(16)19-17(21)13-11-12(18)9-10-14(13)20-25(22,23)4-2/h5-11,20H,3-4H2,1-2H3,(H,19,21)
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InChIKey
FGXOOCFJYZCMRK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7526
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
84.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
25

"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: 168276836
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 = 407 nM
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