General Information of the Compound
Compound ID
CP0572993
Compound Name
5-chloro-2-(cyclopropylsulfonylamino)-N-(2-ethoxy-5-fluorophenyl)benzamide
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Structure
Formula
C18H18ClFN2O4S
Molecular Weight
412.87
Canonical SMILES
CCOc1ccc(F)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)C1CC1
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InChI
InChI=1S/C18H18ClFN2O4S/c1-2-26-17-8-4-12(20)10-16(17)21-18(23)14-9-11(19)3-7-15(14)22-27(24,25)13-5-6-13/h3-4,7-10,13,22H,2,5-6H2,1H3,(H,21,23)
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InChIKey
LSIFCGHQKQTKCV-UHFFFAOYSA-N
Physicochemical Property
logP
4.0342
Rotatable Bonds
7
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).

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PubChem ID
CID: 168282623
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 = 55 nM
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