Name: Ivacaftor-D9
Rating: 5 (10 reviews)

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HIT ID:HIT212712442
Cas No:1413431-07-8
常用名:Ivacaftor-D9
别名:deutivacaftor, CTP-656
IUPAC:N-{2-tert-butyl-5-hydroxy-4-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
IUPAC:N-{2-tert-butyl-5-hydroxy-4-[2-(2H3)methyl(1,1,1,3,3,3-2H6)propan-2-yl]phenyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
InChI key:PURKAOJPTOLRMP-ASMGOKTBSA-N

分子式:C24H28N2O3
分子量:401.554
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:5.7580223
SMILES:[2H]C([2H])([2H])C(c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]
SMILES:[2H]C([2H])([2H])C(c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C)(C([2H])([2H])[2H])C([2H])([2H])[2H]

CTP-656, a cystic fibrosis transmembrane conductance regulator (CFTR) channel activator, is used potentially for the treatment of cystic fibrosis.

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