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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP027052

methyl (1S,12R,14R,15E,18S)-12-[(2R,3R,12bS)-3-ethenyl-9-hydroxy-2-(2-hydroxyethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-8-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Formula: C41H50N4O5  |  Mol. Weight: 678.90 g/mol

IUPAC: methyl (1S,12R,14R,15E,18S)-12-[(2R,3R,12bS)-3-ethenyl-9-hydroxy-2-(2-hydroxyethyl)-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-8-yl]-15-ethylidene-18-(hydroxymethyl)-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

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Overview

Molecular Formula C41H50N4O5
Molecular Weight 678.90 g/mol
Canonical SMILES CC=C1CN(C2CC3=C(C(CC1C2(CO)C(=O)OC)C4=C(C=CC5=C4C6=C(N5)C7CC(C(CN7CC6)C=C)CCO)O)NC8=CC=CC=C38)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy