53347897 -OEChem-04252417122D 67 70 0 1 0 0 0 0 0999 V2000 9.9980 3.4750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4294 3.4695 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 9.5048 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5358 10.8709 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5358 9.1388 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9980 3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 2.3932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7679 10.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 11.5048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 2.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.3999 1.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 4.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6204 2.0682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 1.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1320 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 4.4403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8640 5.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2380 6.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 4.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3320 5.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9512 2.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 3.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9567 2.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 1.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 3.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 1.6888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3744 3.4113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 2.4978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 10.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 10.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1320 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5214 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5995 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3965 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4746 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0761 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0761 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4746 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3999 1.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 3.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9980 7.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4010 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 7.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 4.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7962 6.3078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1990 4.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 1.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6211 4.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 1.1224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 3.9129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 0.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1328 1.2275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3048 10.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 1 22 1 0 0 0 0 2 25 1 0 0 0 0 2 33 1 0 0 0 0 3 41 1 0 0 0 0 4 41 1 0 0 0 0 5 41 1 0 0 0 0 8 21 2 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 42 1 0 0 0 0 10 67 1 0 0 0 0 11 42 2 0 0 0 0 12 16 1 0 0 0 0 12 19 1 0 0 0 0 13 21 1 0 0 0 0 13 25 1 0 0 0 0 13 52 1 0 0 0 0 14 22 2 0 0 0 0 14 28 1 0 0 0 0 15 25 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 6 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 1 0 0 0 0 24 29 2 0 0 0 0 26 30 1 0 0 0 0 26 53 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 31 2 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 60 1 0 0 0 0 36 38 2 0 0 0 0 36 61 1 0 0 0 0 37 39 2 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 40 64 1 0 0 0 0 40 65 1 0 0 0 0 40 66 1 0 0 0 0 41 42 1 0 0 0 0 M END > 53347897 > 1 > 913 > 13 > 2 > 6 > AAADceB7uYBgAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAACx/AAAHwQQSAAADCzF3ha/n9LIFgqsAzX3fHDK+LlxKjkJ2DW+bJiMZvLkubuUMChs0RPI6CeY2IMOoAAAAAAQAABAAAAAACAAAAAAAAAAAA== > (2R)-1-(1-isoquinolylsulfonyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(1-isoquinolinylsulfonyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-piperidinecarboxamide;2,2,2-trifluoroacetic acid > (2R)-1-isoquinolin-1-ylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-isoquinolin-1-ylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-isoquinolin-1-ylsulfonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid > (2R)-1-(1-isoquinolylsulfonyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]pipecolinamide;2,2,2-trifluoroacetic acid > InChI=1S/C25H24N4O4S2.C2HF3O2/c1-33-19-11-9-18(10-12-19)21-16-34-25(27-21)28-23(30)22-8-4-5-15-29(22)35(31,32)24-20-7-3-2-6-17(20)13-14-26-24;3-2(4,5)1(6)7/h2-3,6-7,9-14,16,22H,4-5,8,15H2,1H3,(H,27,28,30);(H,6,7)/t22-;/m1./s1 > GJHPBCCPCMDXHT-VZYDHVRKSA-N > 622.11676136 > C27H25F3N4O6S2 > 622.6 > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3S(=O)(=O)C4=NC=CC5=CC=CC=C54.C(=O)(C(F)(F)F)O > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCCN3S(=O)(=O)C4=NC=CC5=CC=CC=C54.C(=O)(C(F)(F)F)O > 175 > 622.11676136 > 0 > 42 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 22 8 14 28 8 15 25 8 15 32 8 16 21 6 2 25 8 2 33 8 22 23 8 23 24 8 23 26 8 24 27 8 24 29 8 26 30 8 27 28 8 29 31 8 30 31 8 32 33 8 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$