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Chemical structure of (E)-KPT-330

GC91418

(E)-KPT-330

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

(E)-KPT-330 is a metabolite of the exportin 1 (XPO1/CRM1) inhibitor selinexor

ChemicalCAS1421923-86-5MW443.3FormulaC17H11F6N7O
CAS number
1421923-86-5
Molecular weight
443.3
Formula
C17H11F6N7O
Solubility
DMSO： Soluble
InChIKey
DEVSOMFAQLZNKR-DAFODLJHSA-N
Catalogue number
GC91418
Brand
GLPBIO
Computed properties PubChem CID 71493320 · 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 71493320), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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