1H-Isoindol-1-one
AlkaPlorer ID: AK255029
Synonym: None
IUPAC Name: isoindol-1-one
Structure
SMILES: O=C1N=CC2=CC=CC=C12
InChI: InChI=1S/C8H5NO/c10-8-7-4-2-1-3-6(7)5-9-8/h1-5H
InChIKey: XTBAPWCYTNCZTO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Coix | Poaceae | Poales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 131.13399999999996
TPSA？: 29.43
MolLogP？: 1.2593
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Poly [ADP-ribose] polymerase-1 | IC50 | 30000.0 | nM | 10.1016/j.bmcl.2003.10.007 |
| Mus musculus | Poly [ADP-ribose] polymerase-1 | Inhibition | 33.0 | % | 10.1016/j.bmcl.2003.10.007 |