60193560 -OEChem-05102407022D 67 71 0 1 0 0 0 0 0999 V2000 10.8470 -3.5733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2558 1.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 4.2467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8527 -1.5886 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9288 0.6418 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 2.3149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9288 -1.2059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5392 -2.1358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4707 -2.5217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5462 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7766 -1.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6145 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8553 -3.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1593 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7766 0.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8527 1.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4819 -3.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8224 -1.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2217 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5573 -3.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 -2.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 -3.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9912 -4.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3808 -5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 -3.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9158 -4.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 3.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0323 3.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8075 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3252 4.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1004 3.4703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 4.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 5.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0788 -1.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5385 -2.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0907 -2.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 -0.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 -1.8206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -1.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2502 -3.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8836 -4.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 -0.6595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 0.7228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2302 1.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4753 1.5164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9730 -3.8863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9046 -1.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0854 -4.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4751 -4.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4066 -1.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -4.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0794 2.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9742 -3.6685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3944 -4.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8572 -5.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 -5.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 2.1643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4856 5.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 3.3098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 4.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 5.0522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 5.8115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6581 5.3731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 52 1 0 0 0 0 2 19 2 0 0 0 0 3 29 1 0 0 0 0 3 34 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 19 1 0 0 0 0 6 19 1 0 0 0 0 6 28 1 0 0 0 0 6 56 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 35 1 1 0 0 0 8 9 1 0 0 0 0 8 12 1 6 0 0 0 8 36 1 0 0 0 0 9 13 1 1 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 20 1 0 0 0 0 17 50 1 0 0 0 0 18 21 2 0 0 0 0 18 51 1 0 0 0 0 20 22 2 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 3 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END > 60193560 > 1 > 763 > 4 > 2 > 5 > AAADcfB7MAAAAAAAAAAAAAAAGABYAAAAAAAwYAAAAAAWAACxQAAAHgAQCAAADSzhmAYzxoPABgDIEiRCUAiCCAAhIgAIiAAPbIiOdiLEsZuVcChs1hPY6Cew0OIOwAAAAAAAEACAAAAAAAAgAAAAAAAAAA== > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > (8R,9R,10R)-9-[4-(2-cyclopropylethynyl)phenyl]-N-(2-methoxyphenyl)-10-methylol-1,6-diazabicyclo[6.2.0]decane-6-carboxamide > InChI=1S/C28H33N3O3/c1-34-26-7-3-2-6-23(26)29-28(33)30-16-4-5-17-31-24(18-30)27(25(31)19-32)22-14-12-21(13-15-22)11-10-20-8-9-20/h2-3,6-7,12-15,20,24-25,27,32H,4-5,8-9,16-19H2,1H3,(H,29,33)/t24-,25-,27+/m0/s1 > AHQYKPATUFYNTP-OHSXHVKISA-N > 3.9 > 459.25219192 > C28H33N3O3 > 459.6 > COC1=CC=CC=C1NC(=O)N2CCCCN3C(C2)C(C3CO)C4=CC=C(C=C4)C#CC5CC5 > COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C#CC5CC5 > 65 > 459.25219192 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 8 12 18 8 17 20 8 18 21 8 20 22 8 21 22 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 7 35 5 8 12 6 9 13 5 $$$$