Brolaconazole
HIT219159226
sdf文件结构编辑类似物检索
HIT ID: HIT219159226
Cas No: 1246200-39-4
分子式: C28H38N8O10
分子量: 646.658
常用名: Brolaconazole
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: bis(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one); butanedioic acid
IUPAC: bis(7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-1H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one); butanedioic acid
SMILES: OC(=O)CCC(O)=O.OC[C@H]1CN(Cc2c[nH]c3c2[nH]cnc3=O)C[C@@H]1O.OC[C@H]1CN(Cc2c[nH]c3c2[nH]cnc3=O)C[C@@H]1O
SMILES: OC(=O)CCC(O)=O.OC[C@H]1CN(Cc2c[nH]c3c2[nH]cnc3=O)C[C@@H]1O.OC[C@H]1CN(Cc2c[nH]c3c2[nH]cnc3=O)C[C@@H]1O
InChI key: YCQWGDWFVIEPBB-KAVFMPKWSA-N
共显示2个结果
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TargetMol
SC
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TargetMol
SC
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