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HIT212709259
 sdf 文件
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HIT212709259
  • HIT ID:HIT212709259
  • Cas No:263849-50-9
  • 常用名:S 25585
  • IUPAC:(Z)-N-[(Z)-hydroxy[(1r,4r)-4-{[2-nitro-4-(trifluoromethyl)benzenesulfonamido]methyl}cyclohexyl]methylidene]benzenecarbohydrazonic acid
    IUPAC:(Z)-N-[(Z)-hydroxy[(1r,4r)-4-{[2-nitro-4-(trifluoromethyl)benzenesulfonamido]methyl}cyclohexyl]methylidene]benzenecarbohydrazonic acid
  • InChI key:BRMJFKLHWFZWOQ-KOMQPUFPSA-N
  • 分子式:C22H23F3N4O6S
  • 分子量:528.5
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):8
  • LogP:4.657404
  • SMILES:[H][C@]1(CNS(=O)(=O)c2ccc(cc2N(=O)=O)C(F)(F)F)CC[C@@]([H])(CC1)C(\O)=N\N=C(/O)c1ccccc1 |wU:1.1,22.23,wD:1.0,22.27,(,-23.1,;1.33,-23.87,;1.33,-22.33,;,-21.56,;,-20.02,;-1.54,-20.02,;1.54,-20.02,;,-18.48,;-1.33,-17.71,;-1.33,-16.17,;,-15.4,;1.33,-16.17,;1.33,-17.71,;2.67,-18.48,;2.67,-20.02,;4,-17.71,;,-13.86,;,-12.32,;-1.54,-13.86,;1.54,-13.86,;2.67,-24.64,;2.67,-26.18,;1.33,-26.95,;,-27.72,;,-26.18,;,-24.64,;1.33,-28.49,;2.67,-29.26,;,-29.26,;,-30.8,;-1.33,-31.57,;-2.67,-30.8,;-1.33,-33.11,;,-33.88,;,-35.42,;-1.33,-36.19,;-2.67,-35.42,;-2.67,-33.88,)|
    SMILES:[H][C@]1(CNS(=O)(=O)c2ccc(cc2N(=O)=O)C(F)(F)F)CC[C@@]([H])(CC1)C(\O)=N\N=C(/O)c1ccccc1 |wU:1.1,22.23,wD:1.0,22.27,(,-23.1,;1.33,-23.87,;1.33,-22.33,;,-21.56,;,-20.02,;-1.54,-20.02,;1.54,-20.02,;,-18.48,;-1.33,-17.71,;-1.33,-16.17,;,-15.4,;1.33,-16.17,;1.33,-17.71,;2.67,-18.48,;2.67,-20.02,;4,-17.71,;,-13.86,;,-12.32,;-1.54,-13.86,;1.54,-13.86,;2.67,-24.64,;2.67,-26.18,;1.33,-26.95,;,-27.72,;,-26.18,;,-24.64,;1.33,-28.49,;2.67,-29.26,;,-29.26,;,-30.8,;-1.33,-31.57,;-2.67,-30.8,;-1.33,-33.11,;,-33.88,;,-35.42,;-1.33,-36.19,;-2.67,-35.42,;-2.67,-33.88,)|
  • S 25585 is a neuropeptide Y (NPY) Y5 receptor antagonist.
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    4-6周
    纯度
    -
    ¥ 4,083.00
    1

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