16064038 -OEChem-06191314592D 81 85 0 1 0 0 0 0 0999 V2000 9.7942 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.1160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -3.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2045 -1.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2045 -3.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7882 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 -1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 -1.6360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 -1.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 -4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7419 -3.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -3.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -2.3353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0463 -0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 0.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 1.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 -0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 -1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 -1.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 46 1 0 0 0 0 6 46 1 0 0 0 0 7 46 1 0 0 0 0 8 20 1 0 0 0 0 8 61 1 0 0 0 0 9 29 2 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 22 2 0 0 0 0 12 26 1 0 0 0 0 13 25 1 0 0 0 0 13 29 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 2 0 0 0 0 26 63 1 0 0 0 0 27 30 2 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 38 2 0 0 0 0 32 67 1 0 0 0 0 33 39 2 0 0 0 0 33 40 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 34 73 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 41 2 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 38 78 1 0 0 0 0 39 42 1 0 0 0 0 39 79 1 0 0 0 0 40 43 2 0 0 0 0 40 80 1 0 0 0 0 42 44 2 0 0 0 0 42 46 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 44 81 1 0 0 0 0 M END > 16064038 > 1 > 1050 > 12 > 1 > 6 > AAADcfB/scAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHwAACAAADojhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhuhgLYyCeYmMKPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > N-[6-[8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[6-[8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)-3-pyridinyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[6-[8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoro-2-methylphenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[6-[8a-(hydroxymethyl)-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-4-(4-fluoranyl-2-methyl-phenyl)pyridin-3-yl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[6-(8a-methylol-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-2-yl)-4-(4-fluoro-2-methyl-phenyl)-3-pyridyl]-2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide > InChI=1S/C33H35F7N4O2/c1-20-12-24(34)6-7-25(20)26-16-28(43-10-11-44-9-5-8-31(44,18-43)19-45)41-17-27(26)42(4)29(46)30(2,3)21-13-22(32(35,36)37)15-23(14-21)33(38,39)40/h6-7,12-17,45H,5,8-11,18-19H2,1-4H3 > WCYFCDCZFDGXRL-UHFFFAOYSA-N > 6.6 > 652.264824 > C33H35F7N4O2 > 652.645422 > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5CCCC5(C4)CO > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN5CCCC5(C4)CO > 59.9 > 652.264824 > 0 > 46 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 12 22 8 12 26 8 14 20 3 22 23 8 23 24 8 24 25 8 25 26 8 27 30 8 27 32 8 30 36 8 32 38 8 33 39 8 33 40 8 36 41 8 38 41 8 39 42 8 40 43 8 42 44 8 43 44 8 $$$$