Marvin 08011213362D 29 31 0 0 0 0 999 V2000 5.3134 -5.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0147 -4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7573 -5.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0147 -6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 -4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1598 -5.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 -6.2566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8611 -4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5624 -5.0190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2637 -4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8611 -3.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 -3.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2637 -3.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -3.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 -3.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 -4.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -5.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -5.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 -6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 -6.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -6.6691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 -2.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 -3.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1101 -3.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4088 -2.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1514 -2.9564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 11 14 2 0 0 0 0 7 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 13 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 M END > CHEBI:66901 > ivacaftor > An aromatic amide obtained by formal condensation of the carboxy group of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid with the amino group of 5-amino-2,4-di-tert-butylphenol. Used for the treatment of cystic fibrosis. > 3 > VX-770 > N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide > ivacaftorum; ivacaftor; ivacaftor; ivacaftor > Kalydeco > C24H28N2O3 > 392.49070 > 392.20999 > 0 > CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C > InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29) > PURKAOJPTOLRMP-UHFFFAOYSA-N > 873054-44-5 > 11821038 > 873054-44-5 > D09916 > Ivacaftor > 22047557; 22293084; 22383668; 22499233; 22508750; 22543461; 22618984; 22698459; 22723294; 22739718; 22768130 $$$$