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Chemical structure of KIF18A-IN-6

GC69332

KIF18A-IN-6

KIF18A-IN-6 (Compound 134) is an orally active inhibitor of KIF18A that inhibits the microtubule-dependent ATPase activity of KIF18A with an IC50 value of 0·016 μM

ChemicalCAS2914879-10-8MW559.74FormulaC28H37N3O5S2
CAS number
2914879-10-8
Molecular weight
559.74
Formula
C28H37N3O5S2
Solubility
DMSO : 125 mg/mL (223·32 mM; Need ultrasonic)
InChIKey
AXRRVVWONHGXHG-UHFFFAOYSA-N
Catalogue number
GC69332
Brand
GLPBIO
Computed properties PubChem CID 167493856 · XLogP 4.6 · TPSA 129 Ų · H-bond donors 2
XLogP
4.6
TPSA
129 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38

SMILES CCS(=O)(=O)NC1=CC2=C(C=C1)N(CC23CCC4(CC4)CC3)C(=O)C5=CC(=CC=C5)S(=O)(=O)NC(C)(C)C

Computed descriptors from PubChem (CID 167493856), 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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