Zimlovisertib
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
Molecular Identity
Zimlovisertib
1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide
PubChem CID: 118414016
2D Structure
Properties
C18H20FN3O4
Molecular Formula
361.40
Molecular Weight
g/mol
361.1438
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
104
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
535
Complexity
SMILES
Canonical SMILES
SMILES: CCC1C(NC(=O)C1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)NIsomeric SMILES
SMILES: CC[C@H]1[C@H](NC(=O)[C@H]1F)COC2=NC=CC3=CC(=C(C=C32)OC)C(=O)NSynonyms(20)
zimlovisertib1817626-54-2PF-06650833PF066508331-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy)-7-methoxyisoquinoline-6-carboxamideS3F315JJXIPF 066508331-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl]methoxy]-7-methoxyisoquinoline-6-carboxamide1-{[(2s,3s,4s)-3-Ethyl-4-Fluoro-5-Oxopyrrolidin-2-Yl]methoxy}-7-Methoxyisoquinoline-6-Carboxamide6-Isoquinolinecarboxamide, 1-(((2S,3S,4S)-3-ethyl-4-fluoro-5-oxo-2-pyrrolidinyl)methoxy)-7-methoxy-6-Isoquinolinecarboxamide, 1-[[(2S,3S,4S)-3-ethyl-4-fluoro-5-oxo-2-pyrrolidinyl]methoxy]-7-methoxy-RefChem:195974815-268-1Zimlovisertib [USAN]MFCD30343869
Data from PubChem (NCBI)
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