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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011710

Cryptophycin 31

Formula: C35H42Cl2N2O8  |  Mol. Weight: 689.60 g/mol

IUPAC: (3S,6R,10R,13E,16S)-10-[(3,5-dichloro-4-methoxyphenyl)methyl]-6-methyl-3-(2-methylpropyl)-16-[(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

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Overview

Molecular Formula C35H42Cl2N2O8
Molecular Weight 689.60 g/mol
Canonical SMILES CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C(=C4)Cl)OC)Cl

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy