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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008752

2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(Z)-3-[2-(4-hydroxyphenyl)ethylamino]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

Formula: C54H53N3O12  |  Mol. Weight: 936.00 g/mol

IUPAC: 2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(Z)-3-[2-(4-hydroxyphenyl)ethylamino]-2-[4-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-2-methoxyphenoxy]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide

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Overview

Molecular Formula C54H53N3O12
Molecular Weight 936.00 g/mol
Canonical SMILES COC1=CC(=CC2=C1OC(C2C(=O)NCCC3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)C=C(C(=O)NCCC5=CC=C(C=C5)O)OC6=C(C=C(C=C6)C=CC(=O)NCCC7=CC=C(C=C7)O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy