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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031406

methyl (1R,12S,14R,15S,18R)-15-ethyl-12-[(1R,10S,15R,17S,18S)-17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-6-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Formula: C40H50N4O3  |  Mol. Weight: 634.80 g/mol

IUPAC: methyl (1R,12S,14R,15S,18R)-15-ethyl-12-[(1R,10S,15R,17S,18S)-17-ethyl-10-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-6-yl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

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Overview

Molecular Formula C40H50N4O3
Molecular Weight 634.80 g/mol
Canonical SMILES CCC1CC2CC3C1N(C2)CCC4(C3=NC5=C4C=CC(=C5)C6CC7C(CN(C(C7C(=O)OC)CC8=C6NC9=CC=CC=C89)C)CC)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy