General Information of the Compound
Compound ID
CP0543886
Compound Name
N-(1-benzofuran-4-yl)-2-(cyclopropylsulfonylamino)benzamide
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Structure
Formula
C18H16N2O4S
Molecular Weight
356.403
Canonical SMILES
O=C(Nc1cccc2occc12)c1ccccc1NS(=O)(=O)C1CC1
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InChI
InChI=1S/C18H16N2O4S/c21-18(19-15-6-3-7-17-13(15)10-11-24-17)14-4-1-2-5-16(14)20-25(22,23)12-8-9-12/h1-7,10-12,20H,8-9H2,(H,19,21)
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InChIKey
NSRDWXLFMANRRP-UHFFFAOYSA-N
Physicochemical Property
logP
3.5892
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
88.41
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: 168297110
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 = 14200 nM
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