TP-271
HIT212713806
sdf文件结构编辑类似物检索
HIT ID: HIT212713806
Cas No: 1207284-17-0
分子式: C27H31FN4O8
分子量: 558.563
常用名: TP-271
氢键受体数 (HBA): 10
氢键供体数 (HBD): 6
LogP: -3.0629618
IUPAC: (2S)-N-[(5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl]-1-methylpyrrolidine-2-carboxamide
IUPAC: (2S)-N-[(5aR,6aS,7S,10aS)-9-carbamoyl-7-(dimethylamino)-4-fluoro-1,8,10a,11-tetrahydroxy-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracen-2-yl]-1-methylpyrrolidine-2-carboxamide
SMILES: [H][C@@]12Cc3c(F)cc(NC(=O)[C@@H]4CCCN4C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 |t:25,35|
SMILES: [H][C@@]12Cc3c(F)cc(NC(=O)[C@@H]4CCCN4C)c(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])C2 |t:25,35|
InChI key: IXMIZHVJXGKPJI-HMFHYXQTSA-N
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