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Chemical structure of K-Ras G12C-IN-2

GC36399

K-Ras G12C-IN-2

Also known as 1-[3-[4-[2-(4-chloro-5-cyclopropyl-2-hydroxyanilino)acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one

K-Ras G12C-IN-2 is an irreversible covalent K-Ras G12C inhibitor

ChemicalCAS1629267-75-9MW418.92FormulaC21H27ClN4O3
CAS number
1629267-75-9
Molecular weight
418.92
Formula
C21H27ClN4O3
Solubility
DMSO: ≥ 22 mg/mL (52·52 mM)
InChIKey
LTHUJAPYGTUVMD-UHFFFAOYSA-N
Catalogue number
GC36399
Brand
GLPBIO
Computed properties PubChem CID 86279948 · XLogP 2.4 · TPSA 76.1 Ų · H-bond donors 2
XLogP
2.4
TPSA
76.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

SMILES C=CC(=O)N1CC(C1)N2CCN(CC2)C(=O)CNC3=C(C=C(C(=C3)C4CC4)Cl)O

Computed descriptors from PubChem (CID 86279948), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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