10312733 -OEChem-05072404032D 118120 0 1 0 0 0 0 0999 V2000 1.4030 0.8660 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4657 16.0741 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0996 16.4401 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0996 14.7080 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 15.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 6.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 10.5741 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1355 12.5741 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1355 7.8420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 5.2439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 4.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 9.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 9.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 8.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 11.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 12.0741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0016 11.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 12.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 8.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 7.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 10.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 13.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4035 12.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 14.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 6.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 14.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1355 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 15.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 13.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 6.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6355 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 15.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 14.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7336 15.0741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4035 15.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 6.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5996 15.5741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 4.3779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 9.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 10.1846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1606 9.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1606 8.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 11.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 10.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2695 12.6941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 10.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6121 11.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6121 11.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 12.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1105 8.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1105 9.1066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 7.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2432 7.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5795 10.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 10.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 9.5371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5986 13.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 13.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 12.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 12.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6589 14.1817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 13.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 15.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 12.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8676 16.1941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2705 13.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 16.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8665 15.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 15.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1725 7.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3255 7.5129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0986 6.6660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 4.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2555 5.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 5.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2006 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9976 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1316 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3346 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8637 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0666 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4685 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9326 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7297 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6025 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5957 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7987 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4617 0.3911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3278 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5307 1.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4853 0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1053 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 52 1 0 0 0 0 2 41 1 0 0 0 0 3 41 1 0 0 0 0 4 41 1 0 0 0 0 5 27 1 0 0 0 0 5 38 1 0 0 0 0 6 28 2 0 0 0 0 7118 1 0 0 0 0 10 15 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 11 25 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 28 1 0 0 0 0 13 33 2 0 0 0 0 13 42 1 0 0 0 0 14 34 1 0 0 0 0 14 42 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 22 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 23 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 26 1 6 0 0 0 19 61 1 0 0 0 0 20 21 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 22 66 1 0 0 0 0 22 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 24 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 25 27 1 1 0 0 0 25 29 1 0 0 0 0 25 73 1 0 0 0 0 26 74 1 0 0 0 0 26 75 1 0 0 0 0 26 76 1 0 0 0 0 27 77 1 0 0 0 0 27 78 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 35 1 0 0 0 0 31 79 1 0 0 0 0 32 36 2 0 0 0 0 32 80 1 0 0 0 0 33 39 1 0 0 0 0 34 40 1 0 0 0 0 35 37 2 0 0 0 0 35 81 1 0 0 0 0 36 37 1 0 0 0 0 36 82 1 0 0 0 0 37 41 1 0 0 0 0 38 83 1 0 0 0 0 38 84 1 0 0 0 0 38 85 1 0 0 0 0 39 86 1 0 0 0 0 39 87 1 0 0 0 0 39 88 1 0 0 0 0 40 89 1 0 0 0 0 40 90 1 0 0 0 0 40 91 1 0 0 0 0 42 92 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 46 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 45 47 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 46 48 1 0 0 0 0 46 99 1 0 0 0 0 46100 1 0 0 0 0 47 49 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48 50 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 49 51 1 0 0 0 0 49105 1 0 0 0 0 49106 1 0 0 0 0 50 52 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 51 53 1 0 0 0 0 51109 1 0 0 0 0 51110 1 0 0 0 0 52111 1 0 0 0 0 52112 1 0 0 0 0 53 54 1 0 0 0 0 53113 1 0 0 0 0 53114 1 0 0 0 0 54115 1 0 0 0 0 54116 1 0 0 0 0 54117 1 0 0 0 0 M END > 10312733 > 1 > 1000 > 12 > 1 > 17 > AAADcfB/uYBAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwQACAAADKjl3ha3kJcIFIKoAyVzdHDCgCk1AKAJ2CE4RNiKaDrA2dGVJYhsxgPYyWeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (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;dodecane-1-sulfonic acid > (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;1-dodecanesulfonic acid > (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;dodecane-1-sulfonic acid > (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;dodecane-1-sulfonic acid > (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;dodecane-1-sulfonic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone;dodecane-1-sulfonic acid > InChI=1S/C28H38F3N5O2.C12H26O3S/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;1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h6-9,18-19,24H,10-17H2,1-5H3;2-12H2,1H3,(H,13,14,15)/t19-,24-;/m0./s1 > LZTVIUQTIQVNSX-RIAYWLAYSA-N > 783.45802582 > C40H64F3N5O5S > 784.0 > CCCCCCCCCCCCS(=O)(=O)O.CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C > CCCCCCCCCCCCS(=O)(=O)O.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 > 125 > 783.45802582 > 0 > 54 > 2 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 13 33 8 13 42 8 14 34 8 14 42 8 19 26 6 25 27 5 29 31 8 29 32 8 30 33 8 30 34 8 31 35 8 32 36 8 35 37 8 36 37 8 $$$$