60162470 -OEChem-04242413422D 87 89 0 1 0 0 0 0 0999 V2000 15.3322 9.9750 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 0.1089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.9749 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 4.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3322 8.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 6.9750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.8681 2.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 4.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 8.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 5.9750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1360 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0021 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 4.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1360 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8681 3.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5021 1.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5021 3.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 6.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 8.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 9.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 10.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4662 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 11.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 11.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1371 6.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 1.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5221 6.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1235 5.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7341 3.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3481 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8715 2.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0768 5.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 6.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2016 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9987 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5221 9.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1235 8.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 6.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0768 7.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8715 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1920 2.5576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 1.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4050 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0031 4.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9651 1.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8121 1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0390 1.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 3.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9651 3.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 8.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1141 7.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 6.8550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6972 6.9189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9241 6.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7711 6.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 10.1649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0031 11.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 11.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6002 12.5949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.1675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 29 1 0 0 0 0 3 29 1 0 0 0 0 4 28 2 0 0 0 0 5 34 2 0 0 0 0 6 43 1 0 0 0 0 6 86 1 0 0 0 0 7 44 1 0 0 0 0 7 87 1 0 0 0 0 8 43 2 0 0 0 0 9 44 2 0 0 0 0 14 10 1 1 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 11 16 1 0 0 0 0 11 28 1 0 0 0 0 11 66 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 67 1 0 0 0 0 13 24 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 46 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 24 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 23 1 0 0 0 0 19 28 1 1 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 27 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 34 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 29 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 29 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 32 76 1 0 0 0 0 33 77 1 0 0 0 0 33 78 1 0 0 0 0 33 79 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 37 39 1 0 0 0 0 37 80 1 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 39 40 2 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 41 84 1 0 0 0 0 42 44 1 0 0 0 0 42 85 1 0 0 0 0 M END > 60162470 > 1 > 933 > 10 > 4 > 7 > AAADcfB7uYAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAABAAAAHwIQCAAADarBkDQyyIPAAgCIACXSWACCAAAhBwAIiIGIZsgIZDrB07HUMAhglgDI2YccgcAOgAAAAAAAABAAAAAAAAAAIAAAAAAAAA== > (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-piperazin-1-yl]-N-[1-(4,4-difluorocyclohexyl)-1-methyl-ethyl]piperidine-3-carboxamide;fumaric acid > (E)-2-butenedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxo-1-piperazinyl]-N-[2-(4,4-difluorocyclohexyl)propan-2-yl]-3-piperidinecarboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperidine-3-carboxamide > (E)-but-2-enedioic acid;(3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-[2-(4,4-difluorocyclohexyl)propan-2-yl]piperidine-3-carboxamide > (3S,5R)-N-[2-[4,4-bis(fluoranyl)cyclohexyl]propan-2-yl]-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxidanylidene-piperazin-1-yl]piperidine-3-carboxamide;(E)-but-2-enedioic acid > (3S,5R)-5-[4-(2-chlorophenyl)-5-keto-2,2-dimethyl-piperazino]-N-[1-(4,4-difluorocyclohexyl)-1-methyl-ethyl]nipecotamide;fumaric acid > InChI=1S/C27H39ClF2N4O2.C4H4O4/c1-25(2)17-33(22-8-6-5-7-21(22)28)23(35)16-34(25)20-13-18(14-31-15-20)24(36)32-26(3,4)19-9-11-27(29,30)12-10-19;5-3(6)1-2-4(7)8/h5-8,18-20,31H,9-17H2,1-4H3,(H,32,36);1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-,20+;/m0./s1 > KMJMAZGOFKTSKI-FBQZCPRFSA-N > 640.2839191 > C31H43ClF2N4O6 > 641.1 > CC1(CN(C(=O)CN1C2CC(CNC2)C(=O)NC(C)(C)C3CCC(CC3)(F)F)C4=CC=CC=C4Cl)C.C(=CC(=O)O)C(=O)O > CC1(CN(C(=O)CN1[C@@H]2C[C@@H](CNC2)C(=O)NC(C)(C)C3CCC(CC3)(F)F)C4=CC=CC=C4Cl)C.C(=C/C(=O)O)\C(=O)O > 139 > 640.2839191 > 0 > 44 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 14 10 5 19 28 5 35 36 8 35 37 8 36 38 8 37 39 8 38 40 8 39 40 8 $$$$