44490020 -OEChem-03192402502D 80 83 0 1 0 0 0 0 0999 V2000 3.8459 -5.2730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8952 2.7454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8328 1.1145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 3.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9502 -1.4557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 4.1176 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 9.5084 2.7454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6665 -1.2230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0099 -2.8258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 4.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 5.2730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8978 4.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 5.0142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 3.6693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5708 4.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 4.0520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1257 3.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 3.1517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 5.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5084 2.7454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2779 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 1.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0084 3.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0084 1.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4419 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3537 0.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5322 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 0.1665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8755 -1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2189 -3.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3532 -4.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2935 -3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5622 -5.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5025 -3.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -4.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 4.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 5.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 5.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 2.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2907 3.5459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4056 5.1803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 5.3866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2048 5.6318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6412 5.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 2.9855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9691 2.7793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4381 4.3103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6444 3.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 3.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0787 4.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 4.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7173 4.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 3.7503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2066 4.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7472 3.3122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1856 2.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9449 2.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 5.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2018 5.6720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 5.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1984 2.2085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1160 4.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4257 3.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4714 1.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3184 1.3425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5453 2.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8718 1.4442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 0.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0765 -0.2090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3184 4.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2403 -1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5836 -3.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -4.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 -2.4441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6455 -5.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9288 -3.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 25 2 0 0 0 0 4 27 1 0 0 0 0 4 74 1 0 0 0 0 5 33 2 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 21 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 25 1 0 0 0 0 8 31 1 0 0 0 0 8 33 1 0 0 0 0 8 75 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 76 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 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 18 1 1 0 0 0 17 19 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 6 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 1 0 0 0 23 65 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 26 30 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 32 2 0 0 0 0 29 71 1 0 0 0 0 30 31 2 0 0 0 0 30 72 1 0 0 0 0 31 32 1 0 0 0 0 32 73 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 77 1 0 0 0 0 36 38 2 0 0 0 0 36 78 1 0 0 0 0 37 39 2 0 0 0 0 37 79 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 M END > 44490020 > 1 > 789 > 6 > 3 > 8 > AAADcfB7uQAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAWAAABQAAAHwAQCAAADTzhmA4zxoPABgCIAiVSUACCCAAlIgAIiAEObMiONjbEtZuHeWju9hPY6ae8yCCOAEAAQAAIAAAAgACAABAAAAAAAAAAAA== > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2R)-1-oxidanylpropan-2-yl]-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > 1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(1R)-2-hydroxy-1-methyl-ethyl]-6-keto-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-fluorophenyl)urea > InChI=1S/C30H41FN4O4/c1-20-16-35(21(2)19-36)29(37)26-15-25(33-30(38)32-24-11-9-23(31)10-12-24)13-14-27(26)39-28(20)18-34(3)17-22-7-5-4-6-8-22/h9-15,20-22,28,36H,4-8,16-19H2,1-3H3,(H2,32,33,38)/t20-,21-,28+/m1/s1 > LXRLVBFXBBYPLC-CJYOKPGZSA-N > 4.8 > 540.31118396 > C30H41FN4O4 > 540.7 > CC1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)OC1CN(C)CC4CCCCC4)C(C)CO > C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)O[C@H]1CN(C)CC4CCCCC4)[C@H](C)CO > 94.1 > 540.31118396 > 0 > 39 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 5 19 22 6 23 28 5 24 26 8 24 29 8 26 30 8 29 32 8 30 31 8 31 32 8 34 35 8 34 36 8 35 37 8 36 38 8 37 39 8 38 39 8 $$$$