LY3410738
7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
Molecular Identity
LY3410738
7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID: 135125140
2D Structure
Properties
C28H36N6O3
Molecular Formula
504.60
Molecular Weight
g/mol
504.2849
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
90.9
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
806
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
LY3410738example 2 [US11001596B2]7-[[(1S)-1-[4-[(1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethyl]amino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-oneLY 3410738example 2 (US11001596B2)7-(((1S)-1-(4-((1S)-2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl)phenyl)ethyl)amino)-1-ethyl-4H-pyrimido(4,5-d)(1,3)oxazin-2-oneRefChem:154574IDH1 Inhibitor LY3410738IDH1 Mutant Inhibitor LY3410738Mutant IDH1-IN-62230263-60-0CrelosidenibLY-3410738LSN3856920Crelosidenib (USAN)
Data from PubChem (NCBI)
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