Molecule

None

AlkaPlorer ID: AK445151

Synonym: None

IUPAC Name: N-[2-[3,5-dibromo-4-[3-[(3-methyl-7H-purin-6-ylidene)amino]propoxy]phenyl]ethyl]-N-methylacetamide

Structure

SMILES: CC(=O)N(C)CCC1=CC(Br)=C(OCCCN=C2N=CN(C)C3=C2N=CN3)C(Br)=C1

InChI: InChI=1S/C20H24Br2N6O2/c1-13(29)27(2)7-5-14-9-15(21)18(16(22)10-14)30-8-4-6-23-19-17-20(25-11-24-17)28(3)12-26-19/h9-12H,4-8H2,1-3H3,(H,24,25)

InChIKey: LKEDXLIDSSAMKU-UHFFFAOYSA-N

Reference

Isolation, Synthesis, and Biological Activity of Aphrocallistin, an Adenine-Substituted Bromotyramine Metabolite from the Hexactinellida Sponge <i>Aphrocallistes beatrix</i>

PubChem CID: 135914520

LOTUS: LTS0065218

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aphrocallistes beatrix	Aphrocallistes	Aphrocallistidae	Hexactinosida	Hexactinellida	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 540.2600000000002

TPSA？: 88.4

MolLogP？: 3.212000000000001

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi