Topsentin A; 6,21-Dibromo, 13,14-dihydro, N12-Me
AlkaPlorer ID: AK316173
Synonym: Topsentin C
IUPAC Name: None
Structure
SMILES: CN1CC(C2=CNC3=CC(Br)=CC=C23)N=C1C(=O)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C21H16Br2N4O/c1-27-10-19(15-8-24-17-6-11(22)2-4-13(15)17)26-21(27)20(28)16-9-25-18-7-12(23)3-5-14(16)18/h2-9,19,24-25H,10H2,1H3
InChIKey: HZDIPDAZQIJQKT-UHFFFAOYSA-N
Reference
CAS: 128364-30-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hexadella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 500.1940000000001
TPSA？: 64.25
MolLogP？: 5.442100000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|