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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP026262

Desoxycabufiline

Formula: C44H54N4O6  |  Mol. Weight: 734.90 g/mol

IUPAC: methyl (1R,12R,13Z,18R)-13-ethylidene-5-[(1R,9R,12R,13E,18S)-13-ethylidene-5-methoxy-18-methoxycarbonyl-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2(7),3,5-trien-4-yl]-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate

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Overview

Molecular Formula C44H54N4O6
Molecular Weight 734.90 g/mol
Canonical SMILES CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N(C5=C4C=C(C(=C5)C6=CC7=C(C=C6OC)N(C8C79CCN1C8CC(C9C(=O)OC)C(=CC)C1)C)OC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy