3-bromo-4-(2-imino-3-methyl-2,3-dihydro-1H-imidazol-4-yl)-1H,6H,7H,8H-pyrrolo[2,3-c]azepin-8-one
AlkaPlorer ID: AK041555
Synonym: None
IUPAC Name: 4-(2-amino-3-methylimidazol-4-yl)-3-bromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
Structure
SMILES: CN1C(C2=CCN=C(O)C3=C2C(Br)=CN3)=CNC1=N
InChI: InChI=1S/C12H12BrN5O/c1-18-8(5-17-12(18)14)6-2-3-15-11(19)10-9(6)7(13)4-16-10/h2,4-5,16H,3H2,1H3,(H2,14,17)(H,15,19)
InChIKey: OLFXKPISVRKHPL-UHFFFAOYSA-N
Reference
New bioactive alkaloids from the marine sponge Stylissa sp.
PubChem CID: 162886837
LOTUS: LTS0118645
COCONUT: CNP0153420
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 322.16599999999994
TPSA？: 92.95
MolLogP？: 1.6731699999999998
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|