N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]cyclopropanecarboxamide
AlkaPlorer ID: AK194512
Synonym: None
IUPAC Name: N-[2-(2,5-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]cyclopropanecarboxamide
Structure
SMILES: COC1=CC=C(OC)C(C(=O)C2=C(C)C3=CC=C(NC(=O)C4CC4)C=C3O2)=C1
InChI: InChI=1S/C22H21NO5/c1-12-16-8-6-14(23-22(25)13-4-5-13)10-19(16)28-21(12)20(24)17-11-15(26-2)7-9-18(17)27-3/h6-11,13H,4-5H2,1-3H3,(H,23,25)
InChIKey: XXJUOAPBTHGXNI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 379.41200000000015
TPSA？: 77.77
MolLogP？: 4.337920000000003
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC50 | 0.214 | uM | 10.1126/science.aat9446 |
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC90 | 0.214 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC50 | 8.7 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC90 | 8.7 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC50 | 0.214 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC90 | 0.519 | uM | 10.1126/science.aat9446 |