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name Structure Reference Source Properties Activities Metabolism

4,5-dibromo-N-[(2E)-3-{2,2'-diamino-5'-[(1E)-3-[(4,5-dibromo-1H-pyrrol-2-yl)formamido]prop-1-en-1-yl]-5-oxo-4,5-dihydro-1'H,3H-[4,4'-biimidazol]-4-yl}prop-2-en-1-yl]-1H-pyrrole-2-carboxamide

AlkaPlorer ID: AK328547

Synonym: None

IUPAC Name: N-[(E)-3-[2-amino-5-[2-amino-4-[(E)-3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-5-oxo-1H-imidazol-4-yl]-1H-imidazol-4-yl]prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide

Structure

SMILES: N=C1N=C(O)C(/C=C/CNC(=O)C2=CC(Br)=C(Br)N2)(C2=C(/C=C/CNC(=O)C3=CC(Br)=C(Br)N3)NC(=N)N2)N1

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InChI: InChI=1S/C22H20Br4N10O3/c23-9-7-12(31-15(9)25)17(37)29-5-1-3-11-14(34-20(27)33-11)22(19(39)35-21(28)36-22)4-2-6-30-18(38)13-8-10(24)16(26)32-13/h1-4,7-8,31-32H,5-6H2,(H,29,37)(H,30,38)(H3,27,33,34)(H3,28,35,36,39)/b3-1+,4-2+

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InChIKey: AACKLUYHFHIQSO-ZPUQHVIOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Agelas mauritiana Agelas Agelasidae Agelasida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 792.085

TPSA？: 213.67999999999995

MolLogP？: 3.647639999999999

Number of H-Donors: 10

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Microbacterium maritypicum Microbacterium maritypicum IZ 10.0 mm 10.1021/np960113p

Metabolism Information