MRS8028
HIT218850414
sdf文件结构编辑类似物检索
HIT ID: HIT218850414
Cas No: 1784714-67-5
分子式: C21H21ClN6O3S
分子量: 472.95
常用名: MRS8028
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1S,2R,3S,4R,5S)-4-{2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(ethylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
IUPAC: (1S,2R,3S,4R,5S)-4-{2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(ethylamino)-9H-purin-9-yl}-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC
SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NCC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)NC
InChI key: QINHVPXTCNLQAU-RUZZFIIFSA-N
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