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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001008

1-[(12S,13R,18R)-6-methoxy-7-[[(12S,13R,16S,17S,18R)-16-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone

Formula: C44H54N4O5  |  Mol. Weight: 718.90 g/mol

IUPAC: 1-[(12S,13R,18R)-6-methoxy-7-[[(12S,13R,16S,17S,18R)-16-methoxy-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-17-yl]methyl]-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-17-yl]ethanone

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Overview

Molecular Formula C44H54N4O5
Molecular Weight 718.90 g/mol
Canonical SMILES CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=C(N4C)C=C(C(=C5)CC6C7CC8C9=C(CC(C7COC6(C)OC)N8C)C1=CC=CC=C1N9C)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy