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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP000593

Nepapakistamine

Formula: C31H48N2O5  |  Mol. Weight: 528.70 g/mol

IUPAC: [(2S,3S,4R,5R,8R,9S,10R,13S,14S)-4-acetyloxy-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-3-[[(E)-2-methylbut-2-enoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-2-yl] acetate

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Overview

Molecular Formula C31H48N2O5
Molecular Weight 528.70 g/mol
Canonical SMILES CC=C(C)C(=O)NC1C(CC2(C(C1OC(=O)C)CCC3C2CCC4(C3CC=C4C(C)NC)C)C)OC(=O)C

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy