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Chemical structure of Enzalutamide

GC12385

Enzalutamide

Also listed as MDV3100 (Enzalutamide)

MDV3100(enzalutamide) is a second-generation AR antagonist with an IC50 of 36nM in LNCaP prostate cells

ChemicalCAS915087-33-1MW464.4FormulaC21H16F4N4O2S
CAS number
915087-33-1
Molecular weight
464.4
Formula
C21H16F4N4O2S
Solubility
≥ 23·22mg/mL in DMSO
InChIKey
WXCXUHSOUPDCQV-UHFFFAOYSA-N
Catalogue number
GC12385
Brand
GLPBIO
Computed properties PubChem CID 15951529 · XLogP 3.6 · TPSA 109 Ų · H-bond donors 1
XLogP
3.6
TPSA
109 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
3
Heavy atoms
32

SMILES CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Computed descriptors from PubChem (CID 15951529), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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