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Chemical structure of KPT-330

GC12467

KPT-330

Also known as (Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide

KPT-330 (Selinexor) is an orally active selective inhibitor of nuclear export (SINE) compound that inhibits the nuclear export protein XPO1 (also known as CRM1)

ChemicalCAS1393477-72-9MW443.31FormulaC17H11F6N7O
CAS number
1393477-72-9
Molecular weight
443.31
Formula
C17H11F6N7O
Solubility
≥ 15·15mg/mL in DMSO
InChIKey
DEVSOMFAQLZNKR-RJRFIUFISA-N
Catalogue number
GC12467
Brand
GLPBIO
Computed properties PubChem CID 71481097 · XLogP 3 · TPSA 97.6 Ų · H-bond donors 2
XLogP
3
TPSA
97.6 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
5
Heavy atoms
31

SMILES C1=CN=C(C=N1)NNC(=O)/C=C\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Computed descriptors from PubChem (CID 71481097), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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