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HIT212661362
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HIT212661362
  • HIT ID:HIT212661362
  • Cas No:948304-40-3
  • 常用名:UC-1728
  • 别名:t-TUCB
  • IUPAC:4-{[(1r,4r)-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
    IUPAC:4-{[(1r,4r)-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid
  • InChI key:XDVFKCZZXOGEMN-CZIWCDLHSA-N
  • 分子式:C21H21F3N2O5
  • 分子量:438.403
  • 氢键供体数 (HBD):3
  • 氢键受体数 (HBA):5
  • LogP:4.936485
  • SMILES:OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |wU:11.14,wD:8.7,(-10.67,-26.18,;-12,-25.41,;-13.34,-26.18,;-12,-23.87,;-10.67,-23.1,;-10.67,-21.56,;-12,-20.79,;-12,-19.25,;-10.67,-18.48,;-9.34,-19.25,;-8,-18.48,;-8,-16.94,;-9.34,-16.17,;-10.67,-16.94,;-6.67,-16.17,;-6.67,-14.63,;-8,-13.86,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-4,-10.01,;-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-8,-6.16,;-7.44,-8.26,;-5.9,-5.6,;-6.67,-10.01,;-6.67,-11.55,;-13.34,-21.56,;-13.34,-23.1,)|
    SMILES:OC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |wU:11.14,wD:8.7,(-10.67,-26.18,;-12,-25.41,;-13.34,-26.18,;-12,-23.87,;-10.67,-23.1,;-10.67,-21.56,;-12,-20.79,;-12,-19.25,;-10.67,-18.48,;-9.34,-19.25,;-8,-18.48,;-8,-16.94,;-9.34,-16.17,;-10.67,-16.94,;-6.67,-16.17,;-6.67,-14.63,;-8,-13.86,;-5.33,-13.86,;-5.33,-12.32,;-4,-11.55,;-4,-10.01,;-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-8,-6.16,;-7.44,-8.26,;-5.9,-5.6,;-6.67,-10.01,;-6.67,-11.55,;-13.34,-21.56,;-13.34,-23.1,)|
  • UC-1728 (t-TUCB) 是一种兔子可溶性环氧化物水解酶抑制剂,兔子肝脏中测得其IC50=2 nM。
市场产品/服务共显示1个结果
  • 供应商
    TargetMolSC
    规格
    货期
    1-3天
    纯度
    99.88%
    ¥ 227.00
    1

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