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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP016633

11,19-Dideoxyfistularin 3

Formula: C31H30Br6N4O9  |  Mol. Weight: 1082.00 g/mol

IUPAC: (5S,6R)-7,9-dibromo-N-[3-[2,6-dibromo-4-[2-[[(5R,6S)-7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl]amino]ethyl]phenoxy]propyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

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Overview

Molecular Formula C31H30Br6N4O9
Molecular Weight 1082.00 g/mol
Canonical SMILES COC1=C(C(C2(CC(=NO2)C(=O)NCCCOC3=C(C=C(C=C3Br)CCNC(=O)C4=NOC5(C4)C=C(C(=C(C5O)Br)OC)Br)Br)C=C1Br)O)Br

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy