53347919 -OEChem-05072407592D 61 63 0 1 0 0 0 0 0999 V2000 6.5456 3.0055 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.8463 0.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4232 8.4750 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0571 8.8410 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 10.2070 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 4.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6552 9.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 10.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1142 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5162 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 4.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 4.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2482 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1142 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9803 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9803 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3822 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1142 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9803 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9803 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8463 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8463 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7123 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7123 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0675 3.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5675 2.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 3.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 2.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6662 4.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4906 3.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6717 4.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0839 3.9772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5016 3.2727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9232 9.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 9.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2482 3.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6376 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5128 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7157 6.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5908 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1923 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1923 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5908 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5162 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4433 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8463 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2493 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2493 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3153 2.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 2.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0306 5.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1262 2.5620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 5.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 2.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 2.9083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1921 9.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 29 1 0 0 0 0 2 25 1 0 0 0 0 3 37 1 0 0 0 0 4 37 1 0 0 0 0 5 37 1 0 0 0 0 6 19 2 0 0 0 0 7 20 2 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 38 1 0 0 0 0 9 61 1 0 0 0 0 10 38 2 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 19 1 0 0 0 0 12 22 1 0 0 0 0 12 48 1 0 0 0 0 13 22 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 1 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 20 21 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 35 1 0 0 0 0 34 57 1 0 0 0 0 36 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 M END > 53347919 > 1 > 715 > 11 > 2 > 5 > AAADceB7OcBAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwQQCAAADCzF3h6zn5PIFgisAyXyfACC+KllKjkJiDW+LNiMZrKkvTuUMShs1xOIqaeY2IOOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-[(3-fluorophenyl)-oxomethyl]-N-[4-(4-methoxyphenyl)-2-thiazolyl]-2-piperidinecarboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid > (2R)-1-(3-fluorophenyl)carbonyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid > (2R)-1-(3-fluorobenzoyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]pipecolinamide;2,2,2-trifluoroacetic acid > InChI=1S/C23H22FN3O3S.C2HF3O2/c1-30-18-10-8-15(9-11-18)19-14-31-23(25-19)26-21(28)20-7-2-3-12-27(20)22(29)16-5-4-6-17(24)13-16;3-2(4,5)1(6)7/h4-6,8-11,13-14,20H,2-3,7,12H2,1H3,(H,25,26,28);(H,6,7)/t20-;/m1./s1 > WFRREEWBOIKDCN-VEIFNGETSA-N > 553.12945466 > C25H23F4N3O5S > 553.5 > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CCCCN3C(=O)C4=CC(=CC=C4)F.C(=O)(C(F)(F)F)O > COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@H]3CCCCN3C(=O)C4=CC(=CC=C4)F.C(=O)(C(F)(F)F)O > 137 > 553.12945466 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 1 22 8 1 29 8 13 22 8 13 28 8 14 19 5 21 23 8 21 24 8 23 25 8 24 26 8 25 27 8 26 27 8 28 29 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 $$$$