71296119 -OEChem-04262407262D 91 93 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 3.1350 5.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.7046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.2046 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 10.6730 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 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 11.1730 4.8671 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 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 3 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 11.4050 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 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 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 6.2046 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2690 6.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.7046 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 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 8.6980 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 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 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 9.0904 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 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 2.5981 5.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 7.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 7.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 42 1 0 0 0 0 3 42 1 0 0 0 0 4 28 1 0 0 0 0 4 39 1 0 0 0 0 5 29 2 0 0 0 0 6 44 1 0 0 0 0 6 89 1 0 0 0 0 7 46 1 0 0 0 0 7 90 1 0 0 0 0 8 47 1 0 0 0 0 8 91 1 0 0 0 0 9 46 2 0 0 0 0 10 47 2 0 0 0 0 11 16 1 0 0 0 0 11 19 1 0 0 0 0 11 21 1 0 0 0 0 12 20 1 0 0 0 0 12 22 1 0 0 0 0 12 26 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 29 1 0 0 0 0 14 36 2 0 0 0 0 14 43 1 0 0 0 0 15 37 1 0 0 0 0 15 43 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 23 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 24 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 27 1 6 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 36 1 0 0 0 0 31 37 2 0 0 0 0 32 34 1 0 0 0 0 32 72 1 0 0 0 0 33 35 2 0 0 0 0 33 73 1 0 0 0 0 34 38 2 0 0 0 0 34 74 1 0 0 0 0 35 38 1 0 0 0 0 35 75 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 41 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 43 85 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 86 1 0 0 0 0 45 47 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 M END > 71296119 > 1 > 902 > 14 > 3 > 9 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAABwAAAHwAACAAADLzhnhY3mJcIFgCoAyXzfAKCgCk1AKAJ2CF4RNiLeD7A2dGVZYht5gPZyWfTwOAOQAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-1-piperidyl]methanone;2-hydroxybutanedioic acid > (4,6-dimethyl-5-pyrimidinyl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-1-piperazinyl]-4-methyl-1-piperidinyl]methanone;2-hydroxybutanedioic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone;2-hydroxybutanedioic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]methanone;2-hydroxybutanedioic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazin-1-yl]-4-methyl-piperidin-1-yl]methanone;2-oxidanylbutanedioic acid > (4,6-dimethylpyrimidin-5-yl)-[4-[(3S)-4-[2-methoxy-1-[4-(trifluoromethyl)phenyl]ethyl]-3-methyl-piperazino]-4-methyl-piperidino]methanone;malic acid > InChI=1S/C28H38F3N5O2.C4H6O5/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;5-2(4(8)9)1-3(6)7/h6-9,18-19,24H,10-17H2,1-5H3;2,5H,1H2,(H,6,7)(H,8,9)/t19-,24?;/m0./s1 > HQJIGHNTROUVLT-UZLCSXRZSA-N > 667.31928325 > C32H44F3N5O7 > 667.7 > 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(C(C(=O)O)O)C(=O)O > C[C@H]1CN(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(C(=O)O)O)C(=O)O > 157 > 667.31928325 > 0 > 47 > 1 > 2 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 14 36 8 14 43 8 15 37 8 15 43 8 20 27 6 26 28 3 30 32 8 30 33 8 31 36 8 31 37 8 32 34 8 33 35 8 34 38 8 35 38 8 44 6 3 $$$$