60196343 -OEChem-05092413442D 88 90 0 1 0 0 0 0 0999 V2000 11.2341 12.5991 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 12.2331 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2341 10.8671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 11.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 3.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 5.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 5.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 6.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.2700 8.7331 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.2700 4.0010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 0.5369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 5.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 8.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1360 7.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 8.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 6.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 9.7331 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5380 8.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2700 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 9.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 10.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 11.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7700 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 11.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.7996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8526 5.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 6.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 8.8531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 6.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 7.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 8.1254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 8.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 4.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6874 3.7890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3777 3.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 6.7700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 6.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 5.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 9.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 9.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 9.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 8.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 10.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1920 9.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 11.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 9.1131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 12.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4050 9.9231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 12.2700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 12.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 11.1962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 0.7830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7700 2.0230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3070 3.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 3.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2331 2.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.9196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 7.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.9896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 41 1 0 0 0 0 3 41 1 0 0 0 0 4 27 1 0 0 0 0 4 38 1 0 0 0 0 5 28 2 0 0 0 0 6 45 1 0 0 0 0 6 87 1 0 0 0 0 7 46 1 0 0 0 0 7 88 1 0 0 0 0 8 45 2 0 0 0 0 9 46 2 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 35 2 0 0 0 0 13 42 1 0 0 0 0 14 36 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 47 1 0 0 0 0 16 48 1 0 0 0 0 17 23 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 26 1 1 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 56 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 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 27 1 6 0 0 0 25 29 1 0 0 0 0 25 65 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 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 35 1 0 0 0 0 30 36 2 0 0 0 0 31 33 1 0 0 0 0 31 71 1 0 0 0 0 32 34 2 0 0 0 0 32 72 1 0 0 0 0 33 37 2 0 0 0 0 33 73 1 0 0 0 0 34 37 1 0 0 0 0 34 74 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 75 1 0 0 0 0 38 76 1 0 0 0 0 38 77 1 0 0 0 0 39 78 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 42 84 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 43 85 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 M END > 60196343 > 1 > 892 > 13 > 2 > 8 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAACAAADKjhnhY3mJcIFgCoAyXzfACCgCk1AKAJ2CE4RNiKbDrA2dGVNYhsxgPY2eeQwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone;maleic acid > (Z)-2-butenedioic acid;(4,6-dimethyl-5-pyrimidinyl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone > (Z)-but-2-enedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone > (Z)-but-2-enedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone > (Z)-but-2-enedioic acid;(4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone > (4,6-dimethylpyrimidin-5-yl)-[4-[(3R)-4-[(1S)-2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone;maleic acid > InChI=1S/C28H38F3N5O2.C4H4O4/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;5-3(6)1-2-4(7)8/h6-9,18-19,24H,10-17H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19-,24-;/m1./s1 > GXINKQQWHLIBJA-RMXADNEASA-N > 649.30871856 > C32H42F3N5O6 > 649.7 > 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(=CC(=O)O)C(=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.C(=C\C(=O)O)\C(=O)O > 136 > 649.30871856 > 0 > 46 > 2 > 0 > 1 > 0 > 0 > 2 > -1 > 1 5 255 > 13 35 8 13 42 8 14 36 8 14 42 8 19 26 5 25 27 6 29 31 8 29 32 8 30 35 8 30 36 8 31 33 8 32 34 8 33 37 8 34 37 8 $$$$