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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031424

methyl (1R,12S,14S,15E,18R)-15-ethylidene-12-[(E)-[(13S,14E)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-ylidene]methyl]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate

Formula: C39H44N4O2  |  Mol. Weight: 600.80 g/mol

IUPAC: methyl (1R,12S,14S,15E,18R)-15-ethylidene-12-[(E)-[(13S,14E)-14-ethylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),4,6,8-tetraen-12-ylidene]methyl]-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 C39H44N4O2
Molecular Weight 600.80 g/mol
Canonical SMILES CC=C1CN2CCC1C(=CC3CC4C(C(CC5=C3NC6=CC=CC=C56)N(CC4=CC)C)C(=O)OC)C7=C(C2)C8=CC=CC=C8N7

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy