2-(4-Acetylphenyl)-4-Methyl-1h-Isoindole-1,3(2h)-Dione
AlkaPlorer ID: AK006232
Synonym: None
IUPAC Name: 2-(4-acetylphenyl)-4-methylisoindole-1,3-dione
Structure
SMILES: CC1=C2C(=CC=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)C
InChI: InChI=1S/C17H13NO3/c1-10-4-3-5-14-15(10)17(21)18(16(14)20)13-8-6-12(7-9-13)11(2)19/h3-9H,1-2H3
InChIKey: RQFQRVRMHYMTAU-UHFFFAOYSA-N
Reference
PubChem CID: 46840165
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 279.295
TPSA？: 54.45
MolLogP？: 2.9982200000000017
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Enterococcus faecalis (strain ATCC 700802 / V583) | Thymidylate synthase | Inhibition | nan | % | 10.1021/jm2005018 |
| Homo sapiens | Thymidylate synthase | Inhibition | nan | % | 10.1021/jm2005018 |
| Lactobacillus casei | Thymidylate synthase | Ki | 6000.0 | nM | 10.1021/jm2005018 |
| None | Unchecked | Ki | 41000.0 | nM | 10.1021/jm2005018 |