Barettin
AlkaPlorer ID: AK290175
Synonym: None
IUPAC Name: 2-[3-[(5Z)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine
Structure
SMILES: N=C(N)NCCCC1NC(=O)/C(=C/C2=CNC3=CC(Br)=CC=C23)NC1=O
InChI: InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-
InChIKey: YYFNNPXWRXQUPR-NSIKDUERSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia barretti | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 419.2830000000001
TPSA？: 135.89
MolLogP？: 1.1491700000000002
Number of H-Donors: 6
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|