Citorellamine
AlkaPlorer ID: AK270060
Synonym: None
IUPAC Name: N-[(6-bromo-1H-indol-3-yl)methyl]-2-[2-[(6-bromo-1H-indol-3-yl)methylamino]ethylsulfanyl]ethanamine
Structure
SMILES: BrC1=CC=C2C(CNCCSCCNCC3=CNC4=CC(Br)=CC=C34)=CNC2=C1
InChI: InChI=1S/C22H24Br2N4S/c23-17-1-3-19-15(13-27-21(19)9-17)11-25-5-7-29-8-6-26-12-16-14-28-22-10-18(24)2-4-20(16)22/h1-4,9-10,13-14,25-28H,5-8,11-12H2
InChIKey: DEZWWBDBVRIZCS-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Polycitorella | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 536.3370000000001
TPSA？: 55.63999999999999
MolLogP？: 5.786800000000004
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|