3009355 -OEChem-04252405332D 76 79 0 1 0 0 0 0 0999 V2000 6.6962 6.0311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.6651 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 4.2990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1651 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 2.1651 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7320 -2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -5.1651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -6.0311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.8349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 0.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.1651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.2244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -2.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7070 -1.3024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -2.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8397 -3.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.2020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -0.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 3.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.0824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.3551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.4751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.6281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -2.8961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -5.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8520 -5.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -4.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -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 END > 3009355 > 1 > 773 > 9 > 0 > 6 > AAADcfB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAAAAAADKjhnhY3kJcIFACoAyVzdACCgCk1AKAJ2CE4RNiKaDrA2dGVJYhsxgPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone > (4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-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 > CNPVJJQCETWNEU-CYFREDJKSA-N > 3.7 > 533.29775996 > C28H38F3N5O2 > 533.6 > CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > C[C@H]1CN(CCN1[C@@H](COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > 61.8 > 533.29775996 > 0 > 38 > 2 > 0 > 0 > 0 > 0 > 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 $$$$