44256230 -OEChem-05052407502D 76 79 0 1 0 0 0 0 0999 V2000 7.2331 6.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.6651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 4.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 4.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1651 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 2.1651 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2690 -2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -6.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -5.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5369 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8516 -0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 -0.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 0.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 0.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 -2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2439 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 -3.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -0.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 3.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 3.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 3.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.4751 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.8469 5.7020 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 2.2269 4.6281 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 6.7690 -5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3890 -5.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 -4.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3059 -3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4590 -2.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -6.5680 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 6 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 1 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 3 67 2 68 2 69 2 M END > 44256230 > 1 > 773 > 9 > 0 > 6 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAAAAAADKjhnhY3kJcIFACoAyVzdACCgCk1AKAJ2CE4RNiKaDrA2dGVJYhsxgPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-1-piperidyl]methanone > (4,6-dimethyl-5-pyrimidinyl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]-1-piperazinyl]-1-piperidinyl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-methyl-4-[(3S)-3-methyl-4-[(1R)-2-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]ethyl]piperazino]piperidino]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 > CNPVJJQCETWNEU-LRCUMMFFSA-N > 3.7 > 536.31659020 > C28H38F3N5O2 > 536.6 > 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([2H])([2H])OC[C@@H](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 > 536.31659020 > 0 > 38 > 2 > 0 > 0 > 0 > 3 > 1 > -1 > 1 5 255 > 10 32 8 10 38 8 15 22 6 21 23 5 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 $$$$