10312643 -OEChem-05072407492D 108111 0 1 0 0 0 0 0999 V2000 12.6371 12.5991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 12.2331 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.6371 10.8671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 11.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1730 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 6.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.6730 8.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.6730 4.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 8.2331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5390 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 8.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 6.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 9.7331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9409 8.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1730 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2711 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9409 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1730 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1730 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6730 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 8.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 9.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 9.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 4.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.9361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 3.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6980 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2556 5.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5653 6.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8070 8.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1496 8.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7511 8.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0904 3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 3.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6479 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6479 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1170 6.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 6.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 5.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 9.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 9.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 9.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 8.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1964 10.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5949 9.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 11.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 12.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 12.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 12.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6309 11.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1730 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7930 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1730 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7099 3.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8630 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 2.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3630 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 8.5187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 7.8284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3471 6.3535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7456 7.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 7.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 8.5438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 7.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 6.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 10.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 9.3284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1771 9.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 10.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 10.4730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 5.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 3.6261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.1261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 39 1 0 0 0 0 3 39 1 0 0 0 0 4 25 1 0 0 0 0 4 36 1 0 0 0 0 5 26 2 0 0 0 0 6 48 1 0 0 0 0 6107 1 0 0 0 0 7 52 1 0 0 0 0 7108 1 0 0 0 0 8 13 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 11 31 2 0 0 0 0 11 40 1 0 0 0 0 12 32 1 0 0 0 0 12 40 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 20 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 21 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 24 1 6 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 25 1 1 0 0 0 23 27 1 0 0 0 0 23 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 24 74 1 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 26 28 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 77 1 0 0 0 0 30 34 2 0 0 0 0 30 78 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 35 2 0 0 0 0 33 79 1 0 0 0 0 34 35 1 0 0 0 0 34 80 1 0 0 0 0 35 39 1 0 0 0 0 36 81 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 40 90 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 41 91 1 0 0 0 0 41 92 1 0 0 0 0 42 44 1 0 0 0 0 42 93 1 0 0 0 0 42 94 1 0 0 0 0 43 45 1 0 0 0 0 43 95 1 0 0 0 0 43 96 1 0 0 0 0 44 46 1 0 0 0 0 44 97 1 0 0 0 0 44 98 1 0 0 0 0 45 47 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46 48 2 0 0 0 0 46 49 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 47103 1 0 0 0 0 48 50 1 0 0 0 0 49 51 2 0 0 0 0 49104 1 0 0 0 0 50 52 2 0 0 0 0 50105 1 0 0 0 0 51 52 1 0 0 0 0 51106 1 0 0 0 0 M END > 10312643 > 1 > 920 > 11 > 2 > 11 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAAB0AAAHwAACAAADKzhnhY3lpcIFgCoAyVzdACCgCk1IKAJ2CE+TNiKbzrC2dOVdYhtxhfY2WeQ4OQOYAAACAAIAADAAAAQABAAAAAAAAAAAA== > (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-hexylbenzene-1,3-diol > (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-hexylbenzene-1,3-diol > (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-hexylbenzene-1,3-diol > (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-hexylbenzene-1,3-diol > (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-hexylbenzene-1,3-diol > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone;4-hexylresorcinol > InChI=1S/C28H38F3N5O2.C12H18O2/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;1-2-3-4-5-6-10-7-8-11(13)9-12(10)14/h6-9,18-19,24H,10-17H2,1-5H3;7-9,13-14H,2-6H2,1H3/t19-,24-;/m0./s1 > UMUACTNWYHDLEN-RIAYWLAYSA-N > 727.42843977 > C40H56F3N5O4 > 727.9 > CCCCCCC1=C(C=C(C=C1)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 > CCCCCCC1=C(C=C(C=C1)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 > 102 > 727.42843977 > 0 > 52 > 2 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 31 8 11 40 8 12 32 8 12 40 8 17 24 6 23 25 5 27 29 8 27 30 8 28 31 8 28 32 8 29 33 8 30 34 8 33 35 8 34 35 8 46 48 8 46 49 8 48 50 8 49 51 8 50 52 8 51 52 8 $$$$