Eclitasertib
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
Molecular Identity
Eclitasertib
5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID: 130298939
2D Structure
Properties
C19H18N6O3
Molecular Formula
378.40
Molecular Weight
g/mol
378.1440
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
570
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=O)C(COC2=C1N=CC=C2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4Isomeric SMILES
SMILES: CN1C(=O)[C@H](COC2=C1N=CC=C2)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4Synonyms(20)
Eclitasertib2125450-76-0Eclitasertib [INN]DNL758Eclitasertib [USAN]SAR443122DNL-758975AT1P9J6UNII-975AT1P9J6SAR-443122ECLITASERTIB [WHO-DD]5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide3-(Phenylmethyl)-N-((3S)-2,3,4,5-tetrahydro-5-methyl-4-oxopyrido(3,2-b)(1,4)oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide1H-1,2,4-Triazole-5-carboxamide, 3-(phenylmethyl)-N-((3S)-2,3,4,5-tetrahydro-5-methyl-4-oxopyrido(3,2-b)(1,4)oxazepin-3-yl)-5-benzyl-N-((3S)-5-methyl-4-oxo-2,3-dihydropyrido(3,2-b)(1,4)oxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
Data from PubChem (NCBI)
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