(3,5-Dibromo-4-hydroxyphenyl)acetic acid; Amide
AlkaPlorer ID: AK064888
Synonym: 3,5-Dibromo-4-hydroxyphenylacetamide
IUPAC Name: 2-(3,5-dibromo-4-hydroxyphenyl)acetamide
Structure
SMILES: NC(=O)CC1=CC(Br)=C(O)C(Br)=C1
InChI: InChI=1S/C8H7Br2NO2/c9-5-1-4(3-7(11)12)2-6(10)8(5)13/h1-2,13H,3H2,(H2,11,12)
InChIKey: UYMDKUWHCUPXFZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aplysina fistularis | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 308.957
TPSA？: 63.32000000000001
MolLogP？: 1.945
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PC-3 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2010.08.057 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2010.08.057 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmc.2010.08.057 |