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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036956

Thalidasine

Formula: C39H44N2O7  |  Mol. Weight: 652.80 g/mol

IUPAC: (3S,22S)-10,11,15,16,27-pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene

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Overview

Molecular Formula C39H44N2O7
Molecular Weight 652.80 g/mol
Canonical SMILES CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C(=C7CCN6C)O3)OC)OC)C=C5)OC)OC

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy