53382717 -OEChem-04182419072D 74 77 0 1 0 0 0 0 0999 V2000 12.5661 3.3221 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.1097 5.3355 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6742 -4.3002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 -1.2129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7765 -1.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8621 -1.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0982 2.3355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 -2.1789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 -3.3519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -3.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9584 0.8322 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -5.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8302 2.3288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1225 -2.6272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3813 -3.5931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1566 -2.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3473 -3.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -1.2129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9886 -2.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5743 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4836 -2.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1724 -2.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0308 -3.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1724 -1.2129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3064 -0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 -5.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0824 -0.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 0.3286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0904 0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1884 0.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 -4.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -5.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 1.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8340 3.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7020 3.8255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 3.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9738 4.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7058 4.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8418 5.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8853 -2.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 -4.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6487 -3.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4186 -3.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0373 -4.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7857 -4.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 -1.4122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 -2.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 -1.8172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6786 -1.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9729 -0.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1758 -0.2380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2924 -0.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4231 -0.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6737 -4.4347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5376 -4.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3879 -3.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -5.4266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 -5.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5319 -5.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6157 -1.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7498 0.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1860 1.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5307 -3.9502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4941 0.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -4.7888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -5.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3659 2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4318 3.5242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 5.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8441 5.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 40 1 0 0 0 0 15 3 1 1 0 0 0 3 27 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 22 2 0 0 0 0 6 23 2 0 0 0 0 7 36 2 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 28 2 0 0 0 0 10 34 1 0 0 0 0 11 31 1 0 0 0 0 11 36 1 0 0 0 0 11 68 1 0 0 0 0 12 33 2 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 71 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 6 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 1 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 27 63 1 0 0 0 0 28 33 1 0 0 0 0 29 31 2 0 0 0 0 29 64 1 0 0 0 0 30 32 2 0 0 0 0 30 65 1 0 0 0 0 31 32 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 34 35 2 0 0 0 0 34 69 1 0 0 0 0 35 70 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 39 72 1 0 0 0 0 40 42 1 0 0 0 0 41 42 2 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 M END > 53382717 > 1 > 933 > 9 > 2 > 4 > AAADcfB7uYAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHwAQAAAADTzhng4/xpPIFACoAzV3VACCiCQ3MiAI2AG+fMiOZn7E9buXOeju9hPY6ee8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyrazine-2-carbonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyrazine-2-carbonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyrazine-2-carbonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > 1-[2,5-bis(fluoranyl)phenyl]-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxidanylidene-5-pyrazin-2-ylcarbonyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > 1-(2,5-difluorophenyl)-3-[(4S,7S,8S)-11-keto-8-methoxy-4,7,10-trimethyl-5-pyrazinoyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea > InChI=1S/C29H32F2N6O5/c1-17-14-37(28(39)24-13-32-9-10-33-24)18(2)16-42-25-8-6-20(12-21(25)27(38)36(3)15-26(17)41-4)34-29(40)35-23-11-19(30)5-7-22(23)31/h5-13,17-18,26H,14-16H2,1-4H3,(H2,34,35,40)/t17-,18-,26+/m0/s1 > XAYGEBJOARGRIM-QSAFDGGLSA-N > 2.4 > 582.24022447 > C29H32F2N6O5 > 582.6 > CC1CN(C(COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(CC1OC)C)C)C(=O)C4=NC=CN=C4 > C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=C(C=CC(=C3)F)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4=NC=CN=C4 > 126 > 582.24022447 > 0 > 42 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 28 8 10 34 8 12 33 8 12 35 8 14 19 6 18 21 5 25 26 8 25 29 8 26 30 8 28 33 8 29 31 8 15 3 5 30 32 8 31 32 8 34 35 8 37 38 8 37 39 8 38 41 8 39 40 8 40 42 8 41 42 8 $$$$