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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP018747

Catharine

Formula: C46H54N4O10  |  Mol. Weight: 822.90 g/mol

IUPAC: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(2S,6Z)-6-ethyl-8-formyl-2-methoxycarbonyl-4-oxo-8,18-diazatricyclo[9.7.0.012,17]octadeca-1(11),6,12,14,16-pentaen-2-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

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Overview

Molecular Formula C46H54N4O10
Molecular Weight 822.90 g/mol
Canonical SMILES CCC1=CN(CCC2=C(C(CC(=O)C1)(C3=C(C=C4C(=C3)C56CCN7C5C(C=CC7)(C(C(C6N4C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC8=CC=CC=C28)C=O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy