68650782 -OEChem-05112417282D 68 71 0 0 0 0 0 0 0999 V2000 2.0000 -5.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -5.0600 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 3.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 0.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 5.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7942 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6603 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3923 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9441 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3426 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5200 2.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1215 1.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 0.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5252 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1836 -0.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5822 -1.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3312 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7331 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1233 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 -0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5263 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 5.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9292 -2.3700 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 18 2 0 0 0 0 5 23 2 0 0 0 0 6 27 2 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 49 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 8 50 1 0 0 0 0 9 19 2 0 0 0 0 9 20 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 56 1 0 0 0 0 11 28 2 0 0 0 0 11 32 1 0 0 0 0 12 28 1 0 0 0 0 12 66 1 0 0 0 0 12 67 1 0 0 0 0 13 36 1 0 0 0 0 13 38 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 20 32 2 0 0 0 0 21 22 1 0 0 0 0 21 27 1 0 0 0 0 21 29 2 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 24 30 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 31 2 0 0 0 0 25 54 1 0 0 0 0 26 33 1 0 0 0 0 26 36 2 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 37 2 0 0 0 0 33 59 1 0 0 0 0 34 39 1 0 0 0 0 34 60 1 0 0 0 0 35 40 2 0 0 0 0 35 61 1 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 38 42 1 0 0 0 0 39 41 2 0 0 0 0 39 64 1 0 0 0 0 40 41 1 0 0 0 0 40 65 1 0 0 0 0 41 68 1 0 0 0 0 M END > 68650782 > 1 > 902 > 10 > 4 > 10 > AAADceB7sYAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwAQAAAADAjBnhQ9sJLIEACoAzd3dACCgC03EiAI2KG4dNiIYPrA1bGUIYhglgLIyecYicCeAAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > 3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propyl]pyrazine-2-carboxamide > 3-amino-6-[3-[oxo-[(phenylmethyl)amino]methyl]phenyl]-N-[3-[[oxo-[6-(trifluoromethyl)-3-pyridinyl]methyl]amino]propyl]-2-pyrazinecarboxamide > 3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propyl]pyrazine-2-carboxamide > 3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propyl]pyrazine-2-carboxamide > 3-azanyl-6-[3-[(phenylmethyl)carbamoyl]phenyl]-N-[3-[[6-(trifluoromethyl)pyridin-3-yl]carbonylamino]propyl]pyrazine-2-carboxamide > 3-amino-6-[3-(benzylcarbamoyl)phenyl]-N-[3-[[6-(trifluoromethyl)nicotinoyl]amino]propyl]pyrazinamide > InChI=1S/C29H26F3N7O3/c30-29(31,32)23-11-10-21(16-36-23)27(41)34-12-5-13-35-28(42)24-25(33)37-17-22(39-24)19-8-4-9-20(14-19)26(40)38-15-18-6-2-1-3-7-18/h1-4,6-11,14,16-17H,5,12-13,15H2,(H2,33,37)(H,34,41)(H,35,42)(H,38,40) > DJEUGKFEEVFABD-UHFFFAOYSA-N > 3.2 > 577.20492220 > C29H26F3N7O3 > 577.6 > C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=CN=C(C(=N3)C(=O)NCCCNC(=O)C4=CN=C(C=C4)C(F)(F)F)N > C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=CN=C(C(=N3)C(=O)NCCCNC(=O)C4=CN=C(C=C4)C(F)(F)F)N > 152 > 577.20492220 > 0 > 42 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 28 8 11 32 8 13 36 8 13 38 8 17 22 8 17 25 8 19 28 8 20 32 8 21 22 8 21 29 8 25 31 8 26 33 8 26 36 8 29 31 8 30 34 8 30 35 8 33 37 8 34 39 8 35 40 8 37 38 8 39 41 8 40 41 8 9 19 8 9 20 8 $$$$