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Chemical structure of WS6

GC13384

WS6

Also known as N-[6-[4-[2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]-2-oxoethyl]phenoxy]pyrimidin-4-yl]cyclopropanecarboxamide

inducer of β cell proliferation

ChemicalCAS1421227-53-3MW568.59FormulaC29H31F3N6O3
CAS number
1421227-53-3
Molecular weight
568.59
Formula
C29H31F3N6O3
Solubility
≥ 15·95mg/mL in DMSO
InChIKey
FTODTDQFHDJWIQ-UHFFFAOYSA-N
Catalogue number
GC13384
Brand
GLPBIO
Computed properties PubChem CID 71566751 · XLogP 3.3 · TPSA 99.7 Ų · H-bond donors 2
XLogP
3.3
TPSA
99.7 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
41

SMILES CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)OC4=NC=NC(=C4)NC(=O)C5CC5)C(F)(F)F

Computed descriptors from PubChem (CID 71566751), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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