16064040 -OEChem-06191319552D 81 85 0 1 0 0 0 0 0999 V2000 4.5981 4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.3660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 4.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 2.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3385 2.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 4.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4579 2.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 2.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8759 2.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8759 4.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0875 4.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 3.0853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3830 3.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1278 4.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 4.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 3.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1401 -1.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -1.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 5.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3100 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 21 1 0 0 0 0 8 62 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 15 1 0 0 0 0 11 20 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 47 1 0 0 0 0 15 21 1 0 0 0 0 15 48 1 0 0 0 0 16 18 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 20 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 61 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 40 2 0 0 0 0 32 67 1 0 0 0 0 33 38 2 0 0 0 0 33 39 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 42 1 0 0 0 0 38 78 1 0 0 0 0 39 43 2 0 0 0 0 39 79 1 0 0 0 0 40 41 1 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 > 16064040 > 1 > 1040 > 12 > 1 > 6 > AAADcfB/scAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHwAACAAADijhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhuhgLYyCeYyMCPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methyl-phenyl)-6-[1-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridyl]-N,2-dimethyl-propanamide > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[1-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-N,2-dimethylpropanamide > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methylphenyl)-6-[1-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-yl]-N,2-dimethylpropanamide > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoranyl-2-methyl-phenyl)-6-[1-(hydroxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyridin-3-yl]-N,2-dimethyl-propanamide > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methyl-phenyl)-6-(1-methylol-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-pyridyl]-N,2-dimethyl-propionamide > InChI=1S/C33H35F7N4O2/c1-19-12-23(34)7-8-24(19)25-16-29(44-11-10-43-9-5-6-26(43)28(44)18-45)41-17-27(25)42(4)30(46)31(2,3)20-13-21(32(35,36)37)15-22(14-20)33(38,39)40/h7-8,12-17,26,28,45H,5-6,9-11,18H2,1-4H3 > ICNXJJCZHMBIDK-UHFFFAOYSA-N > 6.8 > 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)N4CCN5CCCC5C4CO > 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)N4CCN5CCCC5C4CO > 59.9 > 652.264824 > 0 > 46 > 0 > 2 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 12 22 8 12 26 8 14 16 3 15 21 3 22 23 8 23 24 8 24 25 8 25 26 8 27 30 8 27 32 8 30 36 8 32 40 8 33 38 8 33 39 8 36 41 8 38 42 8 39 43 8 40 41 8 42 44 8 43 44 8 $$$$