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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP023568

methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

Formula: C31H34N2O7  |  Mol. Weight: 546.60 g/mol

IUPAC: methyl (1S,10S,12S,13E,18R)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

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Overview

Molecular Formula C31H34N2O7
Molecular Weight 546.60 g/mol
Canonical SMILES CC=C1CN2CCC34C5=CC=CC=C5N=C3C2CC1C4(COC(=O)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy