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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP031460

methyl (1R,12S,14R,15S,18R)-15-ethyl-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: C39H46N4O2  |  Mol. Weight: 602.80 g/mol

IUPAC: methyl (1R,12S,14R,15S,18R)-15-ethyl-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 C39H46N4O2
Molecular Weight 602.80 g/mol
Canonical SMILES CCC1CN(C2CC3=C(C(CC1C2C(=O)OC)C=C4C5CCN(CC5=CC)CC6=C4NC7=CC=CC=C67)NC8=CC=CC=C38)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy