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Chemical structure of PLK4-IN-1

GC65189

PLK4-IN-1

Also known as (2'S,3R)-2'-(3-iodo-2H-indazol-6-yl)-5-methoxyspiro[1H-indole-3,1'-cyclopropane]-2-one

PLK4-IN-1 (Example A6) is a PLK4 inhibitor, with an IC50 of ≤ 0·1 μM

ChemicalCAS1247001-12-2MW431.23FormulaC18H14IN3O2
CAS number
1247001-12-2
Molecular weight
431.23
Formula
C18H14IN3O2
Solubility
DMSO ： 250 mg/mL (579·74 mM; Need ultrasonic)
InChIKey
ASLOEJIVGTXGIM-UGSOOPFHSA-N
Catalogue number
GC65189
Brand
GLPBIO
Computed properties PubChem CID 53475756 · XLogP 2.8 · TPSA 67 Ų · H-bond donors 2
XLogP
2.8
TPSA
67 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24

SMILES COC1=CC2=C(C=C1)NC(=O)[C@@]23C[C@H]3C4=CC5=NNC(=C5C=C4)I

Computed descriptors from PubChem (CID 53475756), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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