46902664 -OEChem-05082412562D 80 84 0 1 0 0 0 0 0999 V2000 8.9632 -1.5768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5107 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.9381 -1.7994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3970 -2.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9638 -0.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0107 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.5622 0.1799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 3.4602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9716 2.8969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6912 1.9370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 4.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8467 4.5116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9362 5.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6974 5.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6675 6.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 -1.5768 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1154 4.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -2.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9387 -0.6019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 0.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 -1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6916 1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -2.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -0.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -6.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -6.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 4.3658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4626 4.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2593 4.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7068 6.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3291 5.8592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9268 4.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3045 5.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1710 6.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3743 6.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -2.1929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2810 5.9475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8620 6.6255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8860 5.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 4.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0561 -2.7294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8442 -2.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7443 -0.8709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5722 -0.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1208 0.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4242 0.7844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 -1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -3.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -2.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 1.5138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6249 0.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7592 3.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -1.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0532 -2.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.7537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2071 -0.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -0.9386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -6.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -7.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 41 1 0 0 0 0 5 22 2 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 10 27 1 0 0 0 0 11 39 1 0 0 0 0 11 41 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 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 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 51 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 24 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 24 62 1 0 0 0 0 25 31 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 27 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 28 2 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 74 1 0 0 0 0 33 35 2 0 0 0 0 33 75 1 0 0 0 0 34 36 2 0 0 0 0 34 76 1 0 0 0 0 35 36 1 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 M END > 46902664 > 1 > 950 > 8 > 0 > 9 > AAADcfB7sQBAAAAAAAAAAAAAAAAAAWAAAAA8YIAABYAAAAAB8AAAHwQIQAAADSjF3gy+gJMIEAKqAzV3VHDChCQxkiAY2CG4dJgIYPLA0bGUIAhghgDIyAcYgMAOwAAAAAAAAACAAAAAAAAAAAAAAAAAAA== > 5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[[4-(6-fluoro-3-pyridyl)phenyl]methyl]-3-isobutyl-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(cyclohexylmethyl)-4-triazolyl]methyl]-2-[[4-(6-fluoro-3-pyridinyl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[[4-(6-fluoropyridin-3-yl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[[4-(6-fluoropyridin-3-yl)phenyl]methyl]-3-(2-methylpropyl)-1,1-dioxo-1,2,5-thiadiazepan-4-one > 5-[[1-(cyclohexylmethyl)-1,2,3-triazol-4-yl]methyl]-2-[[4-(6-fluoranylpyridin-3-yl)phenyl]methyl]-3-(2-methylpropyl)-1,1-bis(oxidanylidene)-1,2,5-thiadiazepan-4-one > 5-[[1-(cyclohexylmethyl)triazol-4-yl]methyl]-2-[4-(6-fluoro-3-pyridyl)benzyl]-3-isobutyl-1,1-diketo-1,2,5-thiadiazepan-4-one > InChI=1S/C30H39FN6O3S/c1-22(2)16-28-30(38)35(20-27-21-36(34-33-27)18-23-6-4-3-5-7-23)14-15-41(39,40)37(28)19-24-8-10-25(11-9-24)26-12-13-29(31)32-17-26/h8-13,17,21-23,28H,3-7,14-16,18-20H2,1-2H3 > VJAHZWCVZFVXDH-UHFFFAOYSA-N > 4.6 > 582.27883846 > C30H39FN6O3S > 582.7 > CC(C)CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CN=C(C=C3)F)CC4=CN(N=N4)CC5CCCCC5 > CC(C)CC1C(=O)N(CCS(=O)(=O)N1CC2=CC=C(C=C2)C3=CN=C(C=C3)F)CC4=CN(N=N4)CC5CCCCC5 > 110 > 582.27883846 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 27 8 11 39 8 11 41 8 18 20 3 27 28 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 37 38 8 37 39 8 38 40 8 40 41 8 8 28 8 8 9 8 9 10 8 $$$$