Olomorasib
4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile
Molecular Identity
Olomorasib
4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrile
PubChem CID: 156472638
2D Structure
Properties
C25H19ClF2N4O3S
Molecular Formula
529.00
Molecular Weight
g/mol
528.0834
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
952
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)N1CCN2C(C1)CCOC3=C(C(=C(C=C3C2=O)F)C4=C5C(=C(SC5=C(C=C4)F)N)C#N)ClIsomeric SMILES
SMILES: C=CC(=O)N1CCN2[C@H](C1)CCOC3=C(C(=C(C=C3C2=O)F)C4=C5C(=C(SC5=C(C=C4)F)N)C#N)ClSynonyms(20)
OlomorasibLY3537982LY-3537982C2VJ83PSN7RefChem:10938822771246-13-8KRAS G12C inhibitor 192649788-46-32-Amino-4-[(4aS)-8-chloro-10-fluoro-2,3,4,4a,5,6-hexahydro-12-oxo-3-(1-oxo-2-propen-1-yl)-1H,12H-pyrazino[2,1-d][1,5]benzoxazocin-9-yl]-7-fluorobenzo[b]thiophene-3-carbonitrile4-((S)-3-ACRYLOYL-8-CHLORO-10-FLUORO-12-OXO-2,3,4,4A,5,6-HEXAHYDRO-1H,12H-BENZO[B]PYRAZINO[1,2-E][1,5]OXAZOCIN-9-YL)-2-AMINO-7-FLUOROBENZO[B]THIOPHENE-3-CARBONITRILE4-[(13aS)-10-chloro-8-fluoro-6-oxo-2-prop-2-enoyl-1,3,4,12,13,13a-hexahydropyrazino[2,1-d][1,5]benzoxazocin-9-yl]-2-amino-7-fluoro-1-benzothiophene-3-carbonitrileolomorasib [INN]Olomorasib [WHO-DD]orb1690700CHEMBL6068410
Data from PubChem (NCBI)
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