2,3-dibromo-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: AK041545
Synonym: None
IUPAC Name: 4-(2-amino-3-methylimidazol-4-yl)-2,3-dibromo-6,7-dihydro-1H-pyrrolo[2,3-c]azepin-8-one
Structure
SMILES: CN1C(C2=CCNC(=O)C3=C2C(Br)=C(Br)N3)=CNC1=N
InChI: InChI=1S/C12H11Br2N5O/c1-19-6(4-17-12(19)15)5-2-3-16-11(20)9-7(5)8(13)10(14)18-9/h2,4,18H,3H2,1H3,(H2,15,17)(H,16,20)
InChIKey: OFVTZRHCBUKTFP-UHFFFAOYSA-N
Reference
New bioactive alkaloids from the marine sponge Stylissa sp.
PubChem CID: 71495033
LOTUS: LTS0236843
COCONUT: CNP0136640
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Dictyonellidae | Bubarida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.062
TPSA？: 89.46000000000001
MolLogP？: 1.86087
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|