60193739 -OEChem-05052423022D 82 86 0 1 0 0 0 0 0999 V2000 9.1143 4.0283 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.2989 5.4304 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7010 5.2458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 -0.9062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -2.0652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -5.2699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -3.0793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -4.2441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.1482 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.2026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -1.6133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6115 -0.9062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0598 -2.5793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -4.0452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9942 0.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 -1.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -3.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -3.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -4.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -4.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.9884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -3.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -5.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 -0.2307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 -0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -5.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.2238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 0.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 2.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 2.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 3.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9076 4.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -1.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 -0.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -3.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -2.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 0.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -2.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -2.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -3.6864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.3139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -5.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -5.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -5.4498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -4.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.7471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -1.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.7578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -1.1371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 -0.2677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -4.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -5.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 0.9170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -5.4304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 0.7107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 2.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1113 1.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 3.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7451 4.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 45 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 13 1 0 0 0 0 4 21 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 77 1 0 0 0 0 7 34 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 34 1 0 0 0 0 11 39 1 0 0 0 0 11 78 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 6 0 0 0 12 46 1 0 0 0 0 13 16 1 1 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 26 1 0 0 0 0 15 27 1 1 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 25 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 24 1 0 0 0 0 22 29 2 0 0 0 0 23 25 1 0 0 0 0 23 30 2 0 0 0 0 24 31 2 0 0 0 0 25 32 2 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 35 1 0 0 0 0 29 66 1 0 0 0 0 30 37 1 0 0 0 0 30 67 1 0 0 0 0 31 36 1 0 0 0 0 31 68 1 0 0 0 0 32 38 1 0 0 0 0 32 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 35 36 2 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 37 38 2 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 40 79 1 0 0 0 0 41 43 1 0 0 0 0 41 80 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 44 2 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 M END > 60193739 > 1 > 1020 > 7 > 2 > 5 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQCAAADTzhnhYzwPPMFgCoAyVyVACCgCAnAiAI2CG4bNiKdvLAtbmXcQhu1gPY6SeY2fOegAAAQAASAAAAAACAACQAAAAAAAAAAA== > 1-[[(10R,11R)-13-[(1R)-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-3-[3-(trifluoromethyl)phenyl]urea > 1-[[(10R,11R)-13-[(2R)-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-methyl-3-[3-(trifluoromethyl)phenyl]urea > 1-[[(10R,11R)-13-[(2R)-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-methyl-3-[3-(trifluoromethyl)phenyl]urea > 1-[[(10R,11R)-13-[(2R)-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-methyl-3-[3-(trifluoromethyl)phenyl]urea > 1-[[(10R,11R)-11,16-dimethyl-14-oxidanylidene-13-[(2R)-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]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea > 1-[[(10R,11R)-13-[(1R)-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-3-[3-(trifluoromethyl)phenyl]urea > InChI=1S/C34H37F3N4O4/c1-21-17-41(22(2)19-42)32(43)31-30(27-14-7-8-15-28(27)40(31)4)26-13-6-5-10-23(26)20-45-29(21)18-39(3)33(44)38-25-12-9-11-24(16-25)34(35,36)37/h5-16,21-22,29,42H,17-20H2,1-4H3,(H,38,44)/t21-,22-,29+/m1/s1 > TVRVECNDOYCBHZ-QLVXXPONSA-N > 5.2 > 622.27669016 > C34H37F3N4O4 > 622.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)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)C(F)(F)F)C5=CC=CC=C5N2C)[C@H](C)CO > 87 > 622.27669016 > 0 > 45 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 6 13 16 5 15 27 5 18 20 8 20 22 8 22 24 8 22 29 8 23 25 8 23 30 8 24 31 8 25 32 8 29 35 8 30 37 8 31 36 8 32 38 8 35 36 8 37 38 8 39 40 8 39 41 8 40 42 8 41 43 8 42 44 8 43 44 8 9 18 8 9 24 8 $$$$