264624-42-2
AlkaPlorer ID: AK030156
Synonym: '264624-43-3'
IUPAC Name: (3R,6S)-3,6-bis(6-bromo-1H-indol-3-yl)piperazin-2-one
Structure
SMILES: O=C1N[C@@H](C2=CNC3=CC(Br)=CC=C23)CN[C@@H]1C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-25H,9H2,(H,26,27)/t18-,19-/m1/s1
InChIKey: WQWGKDGEXNWWHH-RTBURBONSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 488.1830000000001
TPSA？: 72.71000000000001
MolLogP？: 4.676000000000002
Number of H-Donors: 4
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus aureus | Sortase A | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 12.5 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |