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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP078729

Epothilone A

Formula: C26H39NO6S  |  Mol. Weight: 493.70 g/mol

IUPAC: (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

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Overview

Molecular Formula C26H39NO6S
Molecular Weight 493.70 g/mol
Canonical SMILES CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Therapeutics & Targets

Disease Associations