Bunodosine 391
AlkaPlorer ID: AK291173
Synonym: None
IUPAC Name: 2-[[2-(6-bromo-1H-indol-3-yl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Structure
SMILES: O=C(CC1=CNC2=CC(Br)=CC=C12)NC(CC1=CNC=N1)C(=O)O
InChI: InChI=1S/C16H15BrN4O3/c17-10-1-2-12-9(6-19-13(12)4-10)3-15(22)21-14(16(23)24)5-11-7-18-8-20-11/h1-2,4,6-8,14,19H,3,5H2,(H,18,20)(H,21,22)(H,23,24)
InChIKey: LOMFXKXCWNVMLI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bunodosoma cangicum | Bunodosoma | Actiniidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 391.22500000000014
TPSA？: 110.87
MolLogP？: 2.0081
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|