44256197 -OEChem-04262419442D 76 79 0 1 0 0 0 0 0999 V2000 3.5000 -6.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -7.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -6.0981 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.9019 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5000 -1.0981 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5000 3.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 7.0981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -0.5981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3660 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.0981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7680 -1.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -3.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -5.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -6.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 7.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 1.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 2.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 3.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 0.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0234 0.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -1.2181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 0.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 0.9845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5781 -1.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -0.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 3.1665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 2.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 3.8460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 4.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 0.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 1.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 1.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 -2.5365 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.4580 -0.5611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 -1.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -1.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0826 -1.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 -1.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 -4.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6200 -2.9641 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.5841 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.0000 -2.3441 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.8520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 6.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 4.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 3.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5369 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 7.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 37 1 0 0 0 0 3 37 1 0 0 0 0 4 23 1 0 0 0 0 4 34 1 0 0 0 0 5 24 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 24 1 0 0 0 0 9 31 2 0 0 0 0 9 38 1 0 0 0 0 10 32 1 0 0 0 0 10 38 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 19 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 22 1 1 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 6 0 0 0 21 25 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 31 1 0 0 0 0 26 32 2 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 64 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 38 76 1 0 0 0 0 M ISO 4 57 2 67 2 68 2 69 2 M END > 44256197 > 1 > 773 > 9 > 0 > 6 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAAAAAADKjhnhY3kJcIFACoAyVzdACCgCk1AKAJ2CE4RNiKaDrA2dGVJYhsxgPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]-(4,6-dimethylpyrimidin-5-yl)methanone > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]-(4,6-dimethyl-5-pyrimidinyl)methanone > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone > [4-[(3S)-4-[(1S)-1-deuterio-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]-(4,6-dimethylpyrimidin-5-yl)methanone > InChI=1S/C28H38F3N5O2/c1-19-16-35(14-15-36(19)24(17-38-5)22-6-8-23(9-7-22)28(29,30)31)27(4)10-12-34(13-11-27)26(37)25-20(2)32-18-33-21(25)3/h6-9,18-19,24H,10-17H2,1-5H3/t19-,24+/m0/s1/i5D3,24D > CNPVJJQCETWNEU-OHQFNPLISA-N > 3.7 > 537.32286694 > C28H38F3N5O2 > 537.7 > CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > [2H][C@@](COC([2H])([2H])[2H])(C1=CC=C(C=C1)C(F)(F)F)N2CCN(C[C@@H]2C)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > 61.8 > 537.32286694 > 0 > 38 > 2 > 0 > 0 > 0 > 4 > 1 > -1 > 1 5 255 > 10 32 8 10 38 8 15 22 5 21 23 6 25 27 8 25 28 8 26 31 8 26 32 8 27 29 8 28 30 8 29 33 8 30 33 8 9 31 8 9 38 8 $$$$