16064039 -OEChem-05191312452D 78 82 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 13.6492 1.7448 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 13.3385 2.6953 0.0000 C 0 0 2 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 2.5000 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 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 6.3301 -0.5000 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 7.1962 0.0000 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 7.1962 4.0000 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 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 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 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 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 5.4641 3.0000 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 5.4641 4.0000 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 12.4823 2.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9510 2.5991 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 11.1278 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9248 2.0250 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 14.2559 1.6169 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 8.9282 0.3800 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 6.3671 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 6.6401 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 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 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 4.9272 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 43 1 0 0 0 0 2 44 1 0 0 0 0 3 44 1 0 0 0 0 4 44 1 0 0 0 0 5 45 1 0 0 0 0 6 45 1 0 0 0 0 7 45 1 0 0 0 0 15 8 1 6 0 0 0 8 58 1 0 0 0 0 9 28 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 21 2 0 0 0 0 12 25 1 0 0 0 0 13 24 1 0 0 0 0 13 28 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 25 60 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 30 2 0 0 0 0 27 34 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 30 38 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 41 2 0 0 0 0 34 70 1 0 0 0 0 35 39 1 0 0 0 0 35 71 1 0 0 0 0 36 40 2 0 0 0 0 36 72 1 0 0 0 0 37 43 2 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 39 42 2 0 0 0 0 39 45 1 0 0 0 0 40 42 1 0 0 0 0 40 44 1 0 0 0 0 41 43 1 0 0 0 0 41 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > 16064039 > 1 > 1020 > 12 > 1 > 5 > AAADcfB/scAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB0AAAHwAACAAADjzhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhqhgLYyCcYiMCPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > 2-[3,5-bis(trifluoromethyl)phenyl]-N-[4-(4-fluoro-2-methyl-phenyl)-6-[(8S)-8-hydroxy-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-[(8S)-8-hydroxy-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-[(8S)-8-hydroxy-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-[(8S)-8-oxidanyl-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-[(8S)-8-hydroxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridyl]-N,2-dimethyl-propionamide > InChI=1S/C32H33F7N4O2/c1-18-11-22(33)5-6-23(18)24-15-28(43-10-9-42-8-7-27(44)26(42)17-43)40-16-25(24)41(4)29(45)30(2,3)19-12-20(31(34,35)36)14-21(13-19)32(37,38)39/h5-6,11-16,26-27,44H,7-10,17H2,1-4H3/t26?,27-/m0/s1 > FUEBLCGUMDEZGV-GEVKEYJPSA-N > 6.4 > 638.249174 > C32H33F7N4O2 > 638.618842 > 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)N4CCN5CCC(C5C4)O > 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)N4CCN5CC[C@@H](C5C4)O > 59.9 > 638.249174 > 0 > 45 > 1 > 1 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 12 21 8 12 25 8 14 46 3 21 22 8 22 23 8 23 24 8 24 25 8 27 30 8 27 34 8 29 35 8 29 36 8 30 37 8 34 41 8 35 39 8 36 40 8 37 43 8 39 42 8 40 42 8 41 43 8 15 8 6 $$$$