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Chemical structure of K-Ras(G12C) inhibitor 12

GC12247

K-Ras(G12C) inhibitor 12

Also known as 1-[4-[2-(4-chloro-2-hydroxy-5-iodoanilino)acetyl]piperazin-1-yl]prop-2-en-1-one

allosteric inhibitor of K-Ras(G12C)

ChemicalCAS1469337-95-8MW449.67FormulaC15H17ClIN3O3
CAS number
1469337-95-8
Molecular weight
449.67
Formula
C15H17ClIN3O3
Solubility
≥ 8·98mg/mL in DMSO with gentle warming
InChIKey
JFIFBWVNHLXJFY-UHFFFAOYSA-N
Catalogue number
GC12247
Brand
GLPBIO
Computed properties PubChem CID 73555129 · XLogP 2.2 · TPSA 72.9 Ų · H-bond donors 2
XLogP
2.2
TPSA
72.9 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23

SMILES C=CC(=O)N1CCN(CC1)C(=O)CNC2=CC(=C(C=C2O)Cl)I

Computed descriptors from PubChem (CID 73555129), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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