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Chemical structure of KIF18A-IN-7

GC69333

KIF18A-IN-7

KIF18A-IN-7 (Compound 22) is an orally active inhibitor of KIF18A that inhibits the microtubule-dependent ATPase activity of KIF18A with an IC50 value of 9·4 nM

ChemicalCAS2914878-00-3MW545.71FormulaC27H35N3O5S2
CAS number
2914878-00-3
Molecular weight
545.71
Formula
C27H35N3O5S2
Solubility
DMSO : 25 mg/mL (45·81 mM; ultrasonic and warming and heat to 60°C)
InChIKey
CPAWWZCHEMFYGG-UHFFFAOYSA-N
Catalogue number
GC69333
Brand
GLPBIO
Computed properties PubChem CID 167493602 · XLogP 4.2 · TPSA 129 Ų · H-bond donors 2
XLogP
4.2
TPSA
129 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

SMILES CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CC3(CCC4(CC4)CC3)C5=C2C=CC(=C5)NS(=O)(=O)C

Computed descriptors from PubChem (CID 167493602), 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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