10312569 -OEChem-04262403592D 95 98 0 1 0 0 0 0 0999 V2000 10.3681 12.5991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 12.2331 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3681 10.8671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 11.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 7.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 6.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4040 8.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.4040 4.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.2331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2700 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 8.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 6.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 9.7331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6720 8.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 9.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9040 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.2046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 4.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 4.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 5.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2963 6.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8806 8.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4821 8.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8214 3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5117 3.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3790 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 6.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 6.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 5.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 9.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 9.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 9.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 8.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 10.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 9.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 11.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 9.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 12.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9820 12.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 12.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 11.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5240 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9040 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4409 3.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 2.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 7.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 4.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 8.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 9.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 40 1 0 0 0 0 3 40 1 0 0 0 0 4 26 1 0 0 0 0 4 37 1 0 0 0 0 5 27 2 0 0 0 0 6 43 1 0 0 0 0 6 94 1 0 0 0 0 7 49 1 0 0 0 0 7 95 1 0 0 0 0 8 49 2 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 9 19 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 0 0 0 0 10 24 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 27 1 0 0 0 0 12 34 2 0 0 0 0 12 41 1 0 0 0 0 13 35 1 0 0 0 0 13 41 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 21 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 22 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 25 1 6 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 26 1 1 0 0 0 24 28 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 25 71 1 0 0 0 0 26 72 1 0 0 0 0 26 73 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 34 1 0 0 0 0 29 35 2 0 0 0 0 30 32 1 0 0 0 0 30 74 1 0 0 0 0 31 33 2 0 0 0 0 31 75 1 0 0 0 0 32 36 2 0 0 0 0 32 76 1 0 0 0 0 33 36 1 0 0 0 0 33 77 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 38 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 39 86 1 0 0 0 0 41 87 1 0 0 0 0 42 43 1 0 0 0 0 42 44 2 0 0 0 0 42 45 1 0 0 0 0 43 49 1 0 0 0 0 43 88 1 0 0 0 0 44 46 1 0 0 0 0 44 89 1 0 0 0 0 45 47 2 0 0 0 0 45 90 1 0 0 0 0 46 48 2 0 0 0 0 46 91 1 0 0 0 0 47 48 1 0 0 0 0 47 92 1 0 0 0 0 48 93 1 0 0 0 0 M END > 10312569 > 1 > 911 > 12 > 2 > 8 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAAAAAAA8eLECAAAAAAAB0AAAHwAACAAADLzhnhY3mJcIFgCoAyXzfAKCgCk1AKAJ2CF4TNiLfjrA3dGVdYhsxgPZ2WeYyOCOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (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;2-hydroxy-2-phenyl-acetic 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;2-hydroxy-2-phenylacetic 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;2-hydroxy-2-phenylacetic 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;2-hydroxy-2-phenylacetic 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;2-oxidanyl-2-phenyl-ethanoic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[(1R)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone;madelic acid > InChI=1S/C28H38F3N5O2.C8H8O3/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;9-7(8(10)11)6-4-2-1-3-5-6/h6-9,18-19,24H,10-17H2,1-5H3;1-5,7,9H,(H,10,11)/t19-,24-;/m0./s1 > RMNHBILQALUKOB-RIAYWLAYSA-N > 685.34510407 > C36H46F3N5O5 > 685.8 > CC1CN(CCN1C(COC)C2=CC=C(C=C2)C(F)(F)F)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C.C1=CC=C(C=C1)C(C(=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.C1=CC=C(C=C1)C(C(=O)O)O > 119 > 685.34510407 > 0 > 49 > 2 > 1 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 12 34 8 12 41 8 13 35 8 13 41 8 18 25 6 24 26 5 28 30 8 28 31 8 29 34 8 29 35 8 30 32 8 31 33 8 32 36 8 33 36 8 42 44 8 42 45 8 44 46 8 45 47 8 46 48 8 47 48 8 43 6 3 $$$$