11,13-Dibromo-2,3,5,7,8,9-hexahydro-6H-[3]benzazepino[2,1-h]pyrrolo[4,2,3-de]quinolin-6-one
AlkaPlorer ID: AK111086
Synonym: None
IUPAC Name: 4,6-dibromo-11,15,20-triazapentacyclo[12.6.1.02,12.03,8.017,21]henicosa-1(20),2(12),3(8),4,6,13,15,17(21)-octaen-13-ol
Structure
SMILES: O=C1C2=C(C3=NCCC4=CNC1=C34)C1=C(Br)C=C(Br)C=C1CCN2
InChI: InChI=1S/C18H13Br2N3O/c19-10-5-8-1-3-22-17-14(12(8)11(20)6-10)15-13-9(2-4-21-15)7-23-16(13)18(17)24/h5-7,22-23H,1-4H2
InChIKey: YOVSMQBSDFCADZ-UHFFFAOYSA-N
Reference
COCONUT: CNP0102443
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Latrunculia | Latrunculiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 447.1300000000001
TPSA？: 57.25
MolLogP？: 3.638200000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|