60183761 -OEChem-04172423202D 78 82 0 1 0 0 0 0 0999 V2000 13.3341 3.1809 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 0.6805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.4784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -3.6832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 -1.4926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9856 1.7349 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0363 -2.6574 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3186 -0.0266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6115 0.6805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0598 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9942 1.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4526 -2.4585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2846 0.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 -1.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -1.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1115 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3795 -0.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6425 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2455 0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0476 -2.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4185 -2.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 -3.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 2.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5944 0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -3.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 0.3213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 -1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2616 1.3560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -3.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3598 2.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 1.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 1.8837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -3.5085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 1.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7425 3.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9600 2.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7339 3.8437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3427 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4791 0.5722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2671 1.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2203 -1.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 -0.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0212 2.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3889 1.7386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8537 -2.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4450 -0.3667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8834 0.3927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 0.8311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -0.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.4955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0362 -2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -2.0997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -2.7272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3071 -3.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1839 -3.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3954 3.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 2.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.5641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9718 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0863 1.3190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2427 -3.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 -3.8631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1656 -2.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3683 -1.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9362 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 1.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7119 -4.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -2.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 1.6708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0599 -4.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3659 2.5037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2762 -3.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7313 1.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3650 4.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3374 1.6346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9712 4.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 40 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 22 1 0 0 0 0 4 74 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 14 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 6 0 0 0 8 41 1 0 0 0 0 9 11 1 6 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 6 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 20 1 0 0 0 0 18 27 2 0 0 0 0 19 21 1 0 0 0 0 19 28 2 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 31 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 27 33 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 34 1 0 0 0 0 29 68 1 0 0 0 0 30 35 1 0 0 0 0 30 69 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 32 35 2 0 0 0 0 32 70 1 0 0 0 0 33 34 2 0 0 0 0 33 71 1 0 0 0 0 34 73 1 0 0 0 0 35 72 1 0 0 0 0 36 38 1 0 0 0 0 36 75 1 0 0 0 0 37 39 2 0 0 0 0 37 76 1 0 0 0 0 38 40 2 0 0 0 0 38 77 1 0 0 0 0 39 40 1 0 0 0 0 39 78 1 0 0 0 0 M END > 60183761 > 1 > 823 > 5 > 1 > 6 > AAADcfB/MQAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwAACAAADTzhng4ywPMMFgCoAyVyVACCgCAnAiAI2CG4bNgKdvLAtbmXcQhmxgHY6QeY2fOegAAAAAASAAAAAAAAACQAAAAAAAAAAA== > (10S,11R)-10-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-13-[(1S)-2-hydroxy-1-methyl-ethyl]-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-14-one > (10S,11R)-10-[[(4-fluorophenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-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-14-one > (10S,11R)-10-[[(4-fluorophenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-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-14-one > (10S,11R)-10-[[(4-fluorophenyl)methyl-methylamino]methyl]-13-[(2S)-1-hydroxypropan-2-yl]-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-14-one > (10S,11R)-10-[[(4-fluorophenyl)methyl-methyl-amino]methyl]-11,16-dimethyl-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-14-one > (10S,11R)-10-[[(4-fluorobenzyl)-methyl-amino]methyl]-13-[(1S)-2-hydroxy-1-methyl-ethyl]-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-14-one > InChI=1S/C33H38FN3O3/c1-22-17-37(23(2)20-38)33(39)32-31(28-11-7-8-12-29(28)36(32)4)27-10-6-5-9-25(27)21-40-30(22)19-35(3)18-24-13-15-26(34)16-14-24/h5-16,22-23,30,38H,17-21H2,1-4H3/t22-,23+,30-/m1/s1 > GLNUJUKMTUCLKY-DUELTEGESA-N > 5.1 > 543.28972024 > C33H38FN3O3 > 543.7 > CC1CN(C(=O)C2=C(C3=CC=CC=C3COC1CN(C)CC4=CC=C(C=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)CC4=CC=C(C=C4)F)C5=CC=CC=C5N2C)[C@@H](C)CO > 57.9 > 543.28972024 > 0 > 40 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 23 6 14 16 8 16 19 8 18 20 8 18 27 8 19 21 8 19 28 8 20 29 8 21 30 8 27 33 8 28 32 8 29 34 8 30 35 8 31 36 8 31 37 8 32 35 8 33 34 8 36 38 8 37 39 8 38 40 8 39 40 8 7 14 8 7 21 8 8 13 6 9 11 6 $$$$