General Information of the Compound
Compound ID
CP0510578
Compound Name
5-(4-ethoxyphenyl)-N-(3-methylphenyl)furan-2-carboxamide
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Structure
Formula
C20H19NO3
Molecular Weight
321.376
Canonical SMILES
CCOc1ccc(cc1)-c1ccc(o1)C(=O)Nc1cccc(C)c1
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InChI
InChI=1S/C20H19NO3/c1-3-23-17-9-7-15(8-10-17)18-11-12-19(24-18)20(22)21-16-6-4-5-14(2)13-16/h4-13H,3H2,1-2H3,(H,21,22)
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InChIKey
OYINDXYEWWOYJC-UHFFFAOYSA-N
Physicochemical Property
logP
4.90602
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
51.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 24778288
SID: 49703052
ChEMBL ID
CHEMBL429830
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: PT03008, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 430 nM
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