44601677 -OEChem-05052422482D 94100 0 1 0 0 0 0 0999 V2000 2.0000 3.1865 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 2.0070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 -1.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9973 1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 1.4570 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 0.3395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 -1.9350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2889 0.6055 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.7138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9506 -0.2816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9678 -0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 0.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2694 -0.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 0.2680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0041 2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 1.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7314 -1.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2791 -0.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 1.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 0.9245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 -2.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 -1.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 2.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 0.8096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 -3.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -2.3147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -3.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 1.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6318 -0.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -2.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9552 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -2.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -2.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9341 1.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6004 1.8928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5793 1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2456 2.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2877 2.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9329 3.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9539 3.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 0.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -1.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -0.8330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0769 0.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 2.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 3.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 3.1908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 2.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 -0.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 0.2605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 -0.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 -0.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 -0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6755 -2.6718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -3.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9143 -1.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 -1.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 -3.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 -4.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -2.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4913 -1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0166 -3.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5568 -3.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.3246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4402 -0.2980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 -2.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4828 0.0165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4281 1.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3562 -1.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4416 -3.3796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7041 0.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4611 0.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3493 1.1129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1063 1.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6292 1.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7919 2.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6807 2.9692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5465 3.4728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9521 4.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1840 4.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4269 3.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 28 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 12 1 0 0 0 0 6 23 1 0 0 0 0 6 58 1 0 0 0 0 7 19 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 28 1 0 0 0 0 8 37 1 0 0 0 0 8 78 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 6 0 0 0 10 11 1 0 0 0 0 10 19 1 1 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 17 2 0 0 0 0 13 20 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 1 0 0 0 14 53 1 0 0 0 0 15 18 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 20 26 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 28 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 31 1 0 0 0 0 24 29 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 30 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 35 2 0 0 0 0 26 36 1 0 0 0 0 27 33 2 0 0 0 0 27 67 1 0 0 0 0 29 32 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 30 32 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 34 2 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 32 74 1 0 0 0 0 33 34 1 0 0 0 0 34 75 1 0 0 0 0 35 38 1 0 0 0 0 35 76 1 0 0 0 0 36 39 2 0 0 0 0 36 77 1 0 0 0 0 37 41 1 0 0 0 0 37 79 1 0 0 0 0 37 80 1 0 0 0 0 38 40 2 0 0 0 0 38 81 1 0 0 0 0 39 40 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 41 42 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 43 1 0 0 0 0 42 45 2 0 0 0 0 43 44 1 0 0 0 0 43 86 1 0 0 0 0 43 87 1 0 0 0 0 44 46 1 0 0 0 0 44 88 1 0 0 0 0 44 89 1 0 0 0 0 45 47 1 0 0 0 0 45 90 1 0 0 0 0 46 47 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 47 93 1 0 0 0 0 47 94 1 0 0 0 0 M END > 44601677 > 1 > 1160 > 3 > 2 > 9 > AAADcfB/sAAEAAAAAAAAAAAAAAAAAWAAAAA8eLECAAAAAFix9AAAHgIQAAAADYrBniQwwPPJkACoAyVyVACCgCAhByAImaE4ZpgIYPrB05GUIAhglgDIyAcdi8CegABAIAACAAAAAIBAAAQAAAAAAAAAAA== > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-1-[oxo(1-piperidinyl)methyl]-12b-(2-phenylethyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(1-cyclohexenyl)ethyl]acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide > 2-[(1S,3R,12bS)-9-chloro-4-oxo-12b-(2-phenylethyl)-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide > 2-[(1S,3R,12bS)-9-chloranyl-4-oxidanylidene-12b-(2-phenylethyl)-1-piperidin-1-ylcarbonyl-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]ethanamide > 2-[(1S,3R,12bS)-9-chloro-4-keto-12b-phenethyl-1-(piperidine-1-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]beta-carbolin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide > InChI=1S/C39H47ClN4O3/c40-30-14-15-34-32(26-30)31-18-23-44-37(46)29(25-35(45)41-20-17-28-12-6-2-7-13-28)24-33(38(47)43-21-8-3-9-22-43)39(44,36(31)42-34)19-16-27-10-4-1-5-11-27/h1,4-5,10-12,14-15,26,29,33,42H,2-3,6-9,13,16-25H2,(H,41,45)/t29-,33-,39+/m1/s1 > NNCJFHONTVOXHO-ZTECWAISSA-N > 5.9 > 654.3336691 > C39H47ClN4O3 > 655.3 > C1CCN(CC1)C(=O)C2CC(C(=O)N3C2(C4=C(CC3)C5=C(N4)C=CC(=C5)Cl)CCC6=CC=CC=C6)CC(=O)NCCC7=CCCCC7 > C1CCN(CC1)C(=O)[C@H]2C[C@@H](C(=O)N3[C@@]2(C4=C(CC3)C5=C(N4)C=CC(=C5)Cl)CCC6=CC=CC=C6)CC(=O)NCCC7=CCCCC7 > 85.5 > 654.3336691 > 0 > 47 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 19 5 12 17 8 14 21 5 17 22 8 22 23 8 22 27 8 23 31 8 26 35 8 26 36 8 27 33 8 31 34 8 33 34 8 35 38 8 36 39 8 38 40 8 39 40 8 6 12 8 6 23 8 9 13 6 $$$$