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Chemical structure of (R)-HH2853

GC70906

(R)-HH2853

Also known as N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methylpyridazin-3-yl)-5-[(1R)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide

(R)-HH2853 is a mutant EZH2 inhibitor with an IC50 of ＜100 nM for EZH2-Y641F

ChemicalCAS2202678-06-4MW611.66FormulaC31H36F3N7O3
CAS number
2202678-06-4
Molecular weight
611.66
Formula
C31H36F3N7O3
InChIKey
BIABSPVTTUDBEO-OAQYLSRUSA-N
Catalogue number
GC70906
Brand
GLPBIO
Computed properties PubChem CID 134340937 · XLogP 3.7 · TPSA 104 Ų · H-bond donors 2
XLogP
3.7
TPSA
104 Ų
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44

SMILES CC1=NN=C(C=C1)C2=C3C=C(C(=C(N3C=C2)[C@@H](C)N4CCN(CC4)CC(F)(F)F)C)C(=O)NCC5=C(C=C(NC5=O)C)OC

Computed descriptors from PubChem (CID 134340937), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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