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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP008252

methyl (1S,12R,14R,15E,18S)-15-ethylidene-12-[(13R,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),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: C39H44N4O2  |  Mol. Weight: 600.80 g/mol

IUPAC: methyl (1S,12R,14R,15E,18S)-15-ethylidene-12-[(13R,14E)-14-ethylidene-12-methylidene-1,10-diazatetracyclo[11.2.2.03,11.04,9]heptadeca-3(11),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

Overview

Molecular Formula C39H44N4O2
Molecular Weight 600.80 g/mol
Canonical SMILES CC=C1CN2CCC1C(=C)C3=C(C2)C4=C(N3)C=CC(=C4)C5CC6C(C(CC7=C5NC8=CC=CC=C78)N(CC6=CC)C)C(=O)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy