Molecule

373604-86-5

AlkaPlorer ID: AK041761

Synonym: 'N-methyldibromoisophakellin'

IUPAC Name: (1S,5R)-3-amino-7,8-dibromo-9-methyl-2,4,9,12-tetrazatetracyclo[10.3.0.01,5.06,10]pentadeca-3,6(10),7-trien-11-one

SMILES: CN1C(Br)=C(Br)C2=C1C(=O)N1CCC[C@]13NC(=N)N[C@H]23

InChI: InChI=1S/C12H13Br2N5O/c1-18-7-5(6(13)9(18)14)8-12(17-11(15)16-8)3-2-4-19(12)10(7)20/h8H,2-4H2,1H3,(H3,15,16,17)/t8-,12+/m1/s1

InChIKey: RSEQTLWKMNSLEF-PELKAZGASA-N

PubChem CID: 135501690

LOTUS: LTS0144878

NPASS: NPC300616

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Magnolia praecocissima	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Didymella lethalis	Didymella	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Sulfurospirillum multivorans	Sulfurospirillum	Sulfurospirillaceae	Campylobacterales	Epsilonproteobacteria	Campylobacterota	None	Bacteria
Streptomyces thioluteus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Rhaphiolepis indica	Rhaphiolepis	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Veratrum californicum	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptosporangium sibiricum	Streptosporangium	Streptosporangiaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Molecule Weight: 403.07800000000015

TPSA？: 73.15

MolLogP？: 1.66467

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi