Tas-117
3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol
Molecular Identity
Tas-117
3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-ol
PubChem CID: 66555816
2D Structure
Properties
C26H24N4O2
Molecular Formula
424.50
Molecular Weight
g/mol
424.1899
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
86.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
669
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CC(C1)(C2=CC=C(C=C2)C3=C(N4COC5=C(C4=N3)C=NC=C5)C6=CC=CC=C6)N)OIsomeric SMILES
SMILES: CC1(CC(C1)(C2=CC=C(C=C2)C3=C(N4COC5=C(C4=N3)C=NC=C5)C6=CC=CC=C6)N)OSynonyms(20)
TAS-1171402602-94-1UNII-QI52W1ZIIBpifusertibTAS 117QI52W1ZIIB3-amino-1-methyl-3-[4-(5-phenyl-8-oxa-3,6,12-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-4-yl)phenyl]cyclobutan-1-oltrans-3-Amino-1-methyl-3-(4-(3-phenyl-5H-imidazo(1,2-C)pyrido(3,4-E)(1,3)oxazin-2-yl)phenyl)cyclobutanolCyclobutanol, 3-amino-1-methyl-3-(4-(3-phenyl-5H-imidazo(1,2-C)pyrido(3,4-E)(1,3)oxazin-2-yl)phenyl)-, trans-pifusertib [INN]Cyclobutanol, 3-amino-1-methyl-3-[4-(3-phenyl-5H-imidazo[1,2-c]pyrido[3,4-e][1,3]oxazin-2-yl)phenyl]-, trans-Pifusertib [WHO-DD]orb1699175TAS117CHEMBL3701747
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tas-117
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