Ansornitinib
methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
Molecular Identity
Ansornitinib
methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylate
PubChem CID: 136234633
2D Structure
Properties
C30H32N6O4
Molecular Formula
540.60
Molecular Weight
g/mol
540.2485
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
895
Complexity
SMILES
Canonical SMILES
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=N5)C(=O)OC)OIsomeric SMILES
SMILES: CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=N5)C(=O)OC)OSynonyms(20)
Ansornitinib1448874-96-1Ansornitinib [INN]LHC4W5LJH4UNII-LHC4W5LJH4ANG-30701H-Pyrrolo(2,3-b)pyridine-6-carboxylic acid, 2,3-dihydro-3-(((4-(methyl(2-(4-methyl-1-piperazinyl)acetyl)amino)phenyl)amino)phenylmethylene)-2-oxo-, methyl ester, (3Z)-Methyl (3Z)-3-((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)anilino)(phenyl)methylidene)-2-oxo-2,3-dihydro-1H-pyrrolo(2,3-b)pyridine-6-carboxylatemethyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxylatemethyl (3Z)-3-[{4-[N-methyl-2-(4-methylpiperazin-1-yl)acetamido]anilino}(phenyl)methylidene]-2-oxo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-6-carboxylateorb1686227CHEMBL5095090SCHEMBL15147753SCHEMBL15147755GTPL12086
Data from PubChem (NCBI)
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