Inavolisib
(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
Molecular Identity
Inavolisib
(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
PubChem CID: 124173720
2D Structure
Properties
C18H19F2N5O4
Molecular Formula
407.40
Molecular Weight
g/mol
407.1405
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
641
Complexity
SMILES
Canonical SMILES
SMILES: CC(C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4C(COC4=O)C(F)FIsomeric SMILES
SMILES: C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](COC4=O)C(F)FSynonyms(20)
InavolisibGDC-00772060571-02-8GDC0077ItovebiRG6114Ro7113755L4C1UY2NYHRG-6114RO-7113755(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide(2S)-2-[[2-[(4S)-4-(Difluoromethyl)-2-oxo-3-oxazolidinyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamidePropanamide, 2-((2-((4S)-4-(difluoromethyl)-2-oxo-3-oxazolidinyl)-5,6-dihydroimidazo(1,2-d)(1,4)benzoxazepin-9-yl)amino)-, (2S)-(2S)-2-((2-((4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl)-5,6-dihydroimidazo(1,2-d)(1,4)benzoxazepin-9-yl)amino)propanamide(2S)-2-((2-((4S)-4-(DIFLUOROMETHYL)-2-OXO-3-OXAZOLIDINYL)-5,6-DIHYDROIMIDAZO(1,2-D)(1,4)BENZOXAZEPIN-9-YL)AMINO)PROPANAMIDE
Data from PubChem (NCBI)
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