67195370 -OEChem-04262401522D 69 72 0 1 0 0 0 0 0999 V2000 2.0000 -0.3988 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 2.6012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.7328 -0.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3988 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 -2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 -1.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2429 -2.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7648 -3.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 -1.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.6019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7445 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6578 -2.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5513 -4.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3093 -3.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1448 -3.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 -4.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 -0.3999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1621 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8617 -0.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -0.9548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -1.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -1.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 0.1572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2741 1.0042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 0.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 0.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 1.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 39 1 0 0 0 0 6 15 1 0 0 0 0 6 50 1 0 0 0 0 7 22 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 16 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 6 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 21 51 1 0 0 0 0 23 29 2 0 0 0 0 23 30 1 0 0 0 0 24 28 2 0 0 0 0 24 31 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 34 1 0 0 0 0 28 36 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 30 33 2 0 0 0 0 30 62 1 0 0 0 0 31 37 2 0 0 0 0 31 63 1 0 0 0 0 32 35 2 0 0 0 0 32 39 1 0 0 0 0 33 35 1 0 0 0 0 34 38 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 M END > 67195370 > 1 > 842 > 9 > 1 > 6 > AAADceB7McAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAAB0AAAHwAACAAADijhmh4/8JMIEgCoAjd3dACCgCkxEiAJ2CE4dJiKcHLAnZGUYAhshgLYyCeYmMKPgAACAAAQAAAAAAQAACAAAAAAAAAAAA== > N-[4-(4-fluoro-2-methyl-phenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridinyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[4-(4-fluoro-2-methylphenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethylpropanamide > N-[4-(4-fluoranyl-2-methyl-phenyl)-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridin-3-yl]-2-[3-fluoranyl-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propanamide > N-[4-(4-fluoro-2-methyl-phenyl)-6-[(2S)-2-methylolpyrrolidino]-3-pyridyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N,2-dimethyl-propionamide > InChI=1S/C29H30F5N3O2/c1-17-10-20(30)7-8-23(17)24-14-26(37-9-5-6-22(37)16-38)35-15-25(24)36(4)27(39)28(2,3)18-11-19(29(32,33)34)13-21(31)12-18/h7-8,10-15,22,38H,5-6,9,16H2,1-4H3/t22-/m0/s1 > ORLAIHRQEMSLST-QFIPXVFZSA-N > 6.1 > 547.22581802 > C29H30F5N3O2 > 547.6 > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)C(F)(F)F)N4CCCC4CO > CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)F)C(F)(F)F)N4CCC[C@H]4CO > 56.7 > 547.22581802 > 0 > 39 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 6 16 17 8 17 19 8 19 20 8 20 21 8 23 29 8 23 30 8 24 28 8 24 31 8 28 34 8 29 32 8 30 33 8 31 37 8 32 35 8 33 35 8 34 38 8 37 38 8 9 16 8 9 21 8 $$$$