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Chemical structure of K-Ras G12C-IN-3

GC36400

K-Ras G12C-IN-3

Also known as 1-[4-[4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]prop-2-en-1-one

K-Ras G12C-IN-3 is a novel and irreversible inhibitor of mutant K-ras G12C

ChemicalCAS1629268-19-4MW453.75FormulaC21H19Cl3N2O3
CAS number
1629268-19-4
Molecular weight
453.75
Formula
C21H19Cl3N2O3
Solubility
DMSO： ≥ 30 mg/mL (66·12 mM)
InChIKey
RPBHAPLCWWQJAK-UHFFFAOYSA-N
Catalogue number
GC36400
Brand
GLPBIO
Computed properties PubChem CID 92044410 · XLogP 4.7 · TPSA 49.9 Ų · H-bond donors 0
XLogP
4.7
TPSA
49.9 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29

SMILES COC1=C(C=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCN(CC3)C(=O)C=C

Computed descriptors from PubChem (CID 92044410), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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