Apaziquone
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
Molecular Identity
Apaziquone
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
PubChem CID: 5813717
Apaziquone is a member of indoles.
2D Structure
Properties
C15H16N2O4
Molecular Formula
288.30
Molecular Weight
g/mol
288.1110
Exact Mass
Da
-0.5
XLogP
Drug-like (Lipinski: < 5)
82.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
524
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCOIsomeric SMILES
SMILES: CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)/C=C/COSynonyms(20)
Apaziquone114560-48-4EOquinApaziquonumNeoquinQapzolaNOR-701ApazicuonaNSC 382459H464ZO600ONSC-3824565-(Azridin-1-yl)-3-(hydroxymethyl)-2-((1E)-3-hydroxyprop-1-enyl)-methyl-1H-indole-4,7-dioneDTXSID908695871H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-((1E)-3-hydroxy-1-propenyl)-1-methyl-5-(Azridin-1-yl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxyprop-1-enyl]-methyl-1H-indole-4,7-dione
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Apaziquone
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