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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008790

methyl (1R,9R,12R,13E,18S)-13-ethylidene-5-[(1R,9R,10S,12R,13E,16S,17R)-13-ethylidene-5-methoxy-8-methyl-18-oxo-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-4-yl]-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate

Formula: C41H44N4O5  |  Mol. Weight: 672.80 g/mol

IUPAC: methyl (1R,9R,12R,13E,18S)-13-ethylidene-5-[(1R,9R,10S,12R,13E,16S,17R)-13-ethylidene-5-methoxy-8-methyl-18-oxo-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-trien-4-yl]-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate

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Overview

Molecular Formula C41H44N4O5
Molecular Weight 672.80 g/mol
Canonical SMILES CC=C1CN2CCC34C2(CCC1C3C(=O)OC)N=C5C4=CC(=O)C(=C5)C6=CC7=C(C=C6OC)N(C8C79CC1C(C9=O)C2CC8N1CC2=CC)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy