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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP017683

(E)-3-[(1S,2R,5S,6S)-2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-pyrrolidin-1-ylprop-2-en-1-one

Formula: C31H42N2O4  |  Mol. Weight: 506.70 g/mol

IUPAC: (E)-3-[(1S,2R,5S,6S)-2-(1,3-benzodioxol-5-yl)-6-pentyl-5-(piperidine-1-carbonyl)cyclohex-3-en-1-yl]-1-pyrrolidin-1-ylprop-2-en-1-one

Overview

Molecular Formula C31H42N2O4
Molecular Weight 506.70 g/mol
Canonical SMILES CCCCCC1C(C=CC(C1C=CC(=O)N2CCCC2)C3=CC4=C(C=C3)OCO4)C(=O)N5CCCCC5

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy