46903266 -OEChem-04162416082D 79 83 0 1 0 0 0 0 0999 V2000 9.9076 5.0337 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 -0.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.8733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.6826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -3.8474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.5449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.5993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -1.2167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 -0.5096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -2.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.6485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9942 0.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 -0.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -3.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.3756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.3556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.9194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.5231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 3.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 2.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 4.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 4.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.6178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.0060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -2.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.5567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.8533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -3.2897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.7940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -5.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -5.0532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -1.1849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.4697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.6259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.7404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.1289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.6863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -5.2019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.3137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -5.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 1.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 3.2356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1113 2.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 3.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7451 4.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 17 2 0 0 0 0 4 24 1 0 0 0 0 4 74 1 0 0 0 0 5 32 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 32 1 0 0 0 0 9 37 1 0 0 0 0 9 75 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 1 0 0 0 10 43 1 0 0 0 0 11 14 1 1 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 6 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 23 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 27 2 0 0 0 0 21 23 1 0 0 0 0 21 28 2 0 0 0 0 22 29 2 0 0 0 0 23 30 2 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 33 1 0 0 0 0 27 63 1 0 0 0 0 28 35 1 0 0 0 0 28 64 1 0 0 0 0 29 34 1 0 0 0 0 29 65 1 0 0 0 0 30 36 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 33 34 2 0 0 0 0 33 70 1 0 0 0 0 34 71 1 0 0 0 0 35 36 2 0 0 0 0 35 72 1 0 0 0 0 36 73 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 76 1 0 0 0 0 39 41 2 0 0 0 0 39 77 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 M END > 46903266 > 1 > 925 > 5 > 2 > 5 > AAADcfB/uQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQCAAADTzhng4zwPPMFgCoAyVyVACCgCAnAiAI2CG4bNiKdvLAtbmXcQhu1gPY6SeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > 3-(3-fluorophenyl)-1-[[(10R,11S)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-urea > 3-(3-fluorophenyl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea > 3-(3-fluorophenyl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea > 3-(3-fluorophenyl)-1-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methylurea > 1-[[(10R,11S)-11,16-dimethyl-14-oxidanylidene-13-[(2S)-1-oxidanylpropan-2-yl]-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-3-(3-fluorophenyl)-1-methyl-urea > 3-(3-fluorophenyl)-1-[[(10R,11S)-13-[(1S)-2-hydroxy-1-methyl-ethyl]-14-keto-11,16-dimethyl-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-1-methyl-urea > InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-14-7-8-15-28(27)37(31)4)26-13-6-5-10-23(26)20-42-29(21)18-36(3)33(41)35-25-12-9-11-24(34)16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22-,29-/m0/s1 > KIMVBWBBLXVDQH-SYZUXVNWSA-N > 4.4 > 572.27988384 > C33H37FN4O4 > 572.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)C(=O)NC4=CC(=CC=C4)F)C5=CC=CC=C5N2C)C(C)CO > C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC(=CC=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO > 87 > 572.27988384 > 0 > 42 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 15 5 11 14 5 13 25 6 16 18 8 18 20 8 20 22 8 20 27 8 21 23 8 21 28 8 22 29 8 23 30 8 27 33 8 28 35 8 29 34 8 30 36 8 33 34 8 35 36 8 37 38 8 37 39 8 38 40 8 39 41 8 40 42 8 41 42 8 7 16 8 7 22 8 $$$$