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Chemical structure of Centrinone

GC32688

Centrinone

Also listed as Centrinone (LCR-263)

Centrinone (LCR-263) (LCR-263) is a selective and reversible inhibitor of polo-like kinase 4 (PLK4) with a Ki of 0·16 nM

ChemicalCAS1798871-30-3MW633.65FormulaC26H25F2N7O6S2
CAS number
1798871-30-3
Molecular weight
633.65
Formula
C26H25F2N7O6S2
Solubility
DMSO ： ≥ 31 mg/mL (48·92 mM)
InChIKey
HHJSKDRCUMVWKF-UHFFFAOYSA-N
Catalogue number
GC32688
Brand
GLPBIO
Computed properties PubChem CID 91801159 · XLogP 4.3 · TPSA 202 Ų · H-bond donors 2
XLogP
4.3
TPSA
202 Ų
H-bond donors
2
H-bond acceptors
14
Rotatable bonds
9
Heavy atoms
43

SMILES CC1=CC(=NN1)NC2=C(C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)CC4=C(C(=CC=C4)[N+](=O)[O-])F)F)N5CCOCC5)OC

Computed descriptors from PubChem (CID 91801159), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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