60193646 -OEChem-05102418382D 82 86 0 1 0 0 0 0 0999 V2000 11.5493 1.5830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9514 1.3984 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1360 2.8005 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 -0.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -4.5418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 2.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0363 -3.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 0.8763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 1.9307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.8852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6115 -0.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0598 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -3.3171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9942 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2846 -0.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -2.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -2.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -3.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -0.5442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -3.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -4.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -4.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -2.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -4.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 0.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.8002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -4.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 0.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 2.8546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 2.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1337 3.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1166 3.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5164 4.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 4.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 -0.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 0.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -2.4500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -1.8512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -3.1566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 1.3652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 0.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -1.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 -0.4660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 -0.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -1.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -3.5219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.9583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -4.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -4.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -4.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -4.7218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -3.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -2.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 -0.8535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -5.0298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 0.8011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 -0.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 -0.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 0.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 0.8122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7372 1.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 3.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 3.9899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1390 5.0637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7451 5.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 43 1 0 0 0 0 2 43 1 0 0 0 0 3 43 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 1 0 0 0 12 46 1 0 0 0 0 13 16 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 26 1 0 0 0 0 15 27 1 6 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 43 1 0 0 0 0 41 44 1 0 0 0 0 41 79 1 0 0 0 0 42 45 1 0 0 0 0 42 80 1 0 0 0 0 44 45 2 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 M END > 60193646 > 1 > 1020 > 7 > 2 > 5 > AAADcfB/uYAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAQCAAADTzhnhYzwPPMFgCoAyVyVACCgCAnAiAI2CG4bNiKdvLAtbmXcQhu1gPY6SeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > 1-[[(10S,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-3-[2-(trifluoromethyl)phenyl]urea > 1-[[(10S,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-methyl-3-[2-(trifluoromethyl)phenyl]urea > 1-[[(10S,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-methyl-3-[2-(trifluoromethyl)phenyl]urea > 1-[[(10S,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-methyl-3-[2-(trifluoromethyl)phenyl]urea > 1-[[(10S,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]-1-methyl-3-[2-(trifluoromethyl)phenyl]urea > 1-[[(10S,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-3-[2-(trifluoromethyl)phenyl]urea > InChI=1S/C34H37F3N4O4/c1-21-17-41(22(2)19-42)32(43)31-30(25-13-7-10-16-28(25)40(31)4)24-12-6-5-11-23(24)20-45-29(21)18-39(3)33(44)38-27-15-9-8-14-26(27)34(35,36)37/h5-16,21-22,29,42H,17-20H2,1-4H3,(H,38,44)/t21-,22-,29+/m0/s1 > GIYRPBNEUDIOAC-IHMCZWCLSA-N > 5.2 > 622.27669016 > C34H37F3N4O4 > 622.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)C(=O)NC4=CC=CC=C4C(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=C4C(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 5 13 16 6 15 27 6 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 44 8 42 45 8 44 45 8 9 18 8 9 24 8 $$$$