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Chemical structure of KRAS G12C inhibitor 15

GC63875

KRAS G12C inhibitor 15

Also known as (4R,7R)-16-chloro-14-fluoro-15-(2-fluoro-6-hydroxyphenyl)-4,9-dimethyl-5-prop-2-enoyl-2,5,9,12-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-8-one

KRAS G12C inhibitor 15 is a potent KRAS G12C inhibitor extracted from patent WO2019110751A1, compound 22, has an IC50 of 5 nM

ChemicalCAS2349393-21-9MW498.91FormulaC25H21ClF2N4O3
CAS number
2349393-21-9
Molecular weight
498.91
Formula
C25H21ClF2N4O3
Solubility
DMSO ： 193·33 mg/mL (387·50 mM; Need ultrasonic)
InChIKey
XDVMVEOFPVCHEL-SJKOYZFVSA-N
Catalogue number
GC63875
Brand
GLPBIO
Computed properties PubChem CID 138678754 · XLogP 3.9 · TPSA 77 Ų · H-bond donors 1
XLogP
3.9
TPSA
77 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
35

SMILES C[C@@H]1CN2[C@H](CN1C(=O)C=C)C(=O)N(C3=C2C4=CC(=C(C(=C4N=C3)F)C5=C(C=CC=C5F)O)Cl)C

Computed descriptors from PubChem (CID 138678754), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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