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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035044

Apateline

Formula: C34H32N2O5  |  Mol. Weight: 548.60 g/mol

IUPAC: (8R,21S)-27-methoxy-22-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaen-13-ol

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Overview

Molecular Formula C34H32N2O5
Molecular Weight 548.60 g/mol
Canonical SMILES CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy