Jaspamycin
HIT212672399
sdf文件结构编辑类似物检索
HIT ID: HIT212672399
Cas No: 22242-96-2
分子式: C12H12N4O5
分子量: 292.251
常用名: Jaspamycin
氢键受体数 (HBA): 7
氢键供体数 (HBD): 4
LogP: -1.8099381
IUPAC: 7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC: 7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c1nc[nH]c2=O
SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C#N)c2c1nc[nH]c2=O
InChI key: SKDKFLFSBDYEDO-WOUKDFQISA-N
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