44601673 -OEChem-04202400152D 85 91 0 1 0 0 0 0 0999 V2000 2.0000 3.3874 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9957 2.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7768 -1.3544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9375 -3.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9973 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6747 2.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3132 1.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8601 0.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4668 -1.7341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2889 0.8064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6440 0.9148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9506 -0.0807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2694 -0.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6659 1.1227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -0.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6648 0.4689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2791 -0.1516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0041 2.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9045 -1.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 2.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 1.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0260 2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7314 -1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 -1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4345 -1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3628 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 0.2648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8645 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 1.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6812 2.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4213 -1.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2476 -2.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 1.0105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 0.8937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1567 -2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9830 -3.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 2.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 1.6572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9552 1.5521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9341 1.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 0.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3385 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5426 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3708 0.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 -0.1413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7326 -0.8788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4927 -0.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0769 0.9321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3008 0.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6727 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 2.6952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0258 3.2286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -1.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2582 3.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 3.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -0.7067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3146 -1.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8652 -2.3728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 -1.5451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5493 0.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4136 -0.3110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1707 -0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 -2.2106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 -2.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5006 -3.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3057 -3.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8791 3.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9143 -1.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1366 -0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6755 -2.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 -3.2317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 0.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7288 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4913 -1.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4900 -3.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2677 -3.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 1.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4828 0.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1852 2.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4281 1.8786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0364 -0.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7551 0.0852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1080 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 21 2 0 0 0 0 3 23 2 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 34 2 0 0 0 0 6 41 1 0 0 0 0 6 44 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 8 62 1 0 0 0 0 9 23 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 40 1 0 0 0 0 10 80 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 6 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 1 0 0 0 12 45 1 0 0 0 0 13 17 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 21 1 0 0 0 0 16 27 1 1 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 22 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 55 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 28 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 29 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 34 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 35 1 0 0 0 0 31 38 2 0 0 0 0 31 69 1 0 0 0 0 32 36 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 37 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 35 39 2 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 37 78 1 0 0 0 0 38 39 1 0 0 0 0 39 79 1 0 0 0 0 40 41 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 83 1 0 0 0 0 43 44 2 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 M END > 44601673 > 1 > 1070 > 5 > 2 > 8 > AAADcfB/uAAEAAAAAAAAAAAAAAAAAeJEAAA8WLEAAAAAAFix/AAAHgIQAAAADY7hniYwxPPJlECoA61y1ACCiCAlJyAImaG+btgOZvrF97uXOSjk1hHY6Yedm8KegABAIAACAAAAAIBAAAQAAAAAAAAAAA== > 2-[(1S,3R,12bS)-9-chloro-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-furylmethyl)acetamide > 2-[(1S,3R,12bS)-9-chloro-12b-(2-cyclopentylethyl)-1-[4-morpholinyl(oxo)methyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(2-furanylmethyl)acetamide > 2-[(1S,3R,12bS)-9-chloro-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(furan-2-ylmethyl)acetamide > 2-[(1S,3R,12bS)-9-chloro-12b-(2-cyclopentylethyl)-1-(morpholine-4-carbonyl)-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(furan-2-ylmethyl)acetamide > 2-[(1S,3R,12bS)-9-chloranyl-12b-(2-cyclopentylethyl)-1-morpholin-4-ylcarbonyl-4-oxidanylidene-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(furan-2-ylmethyl)ethanamide > 2-[(1S,3R,12bS)-9-chloro-12b-(2-cyclopentylethyl)-4-keto-1-(morpholine-4-carbonyl)-1,2,3,6,7,12-hexahydropyrido[2,1-a]beta-carbolin-3-yl]-N-(2-furfuryl)acetamide > InChI=1S/C34H41ClN4O5/c35-24-7-8-29-27(20-24)26-10-12-39-32(41)23(19-30(40)36-21-25-6-3-15-44-25)18-28(33(42)38-13-16-43-17-14-38)34(39,31(26)37-29)11-9-22-4-1-2-5-22/h3,6-8,15,20,22-23,28,37H,1-2,4-5,9-14,16-19,21H2,(H,36,40)/t23-,28-,34+/m1/s1 > FXLPGCSZAQYZGR-MTKZBHHESA-N > 3.8 > 620.2765481 > C34H41ClN4O5 > 621.2 > C1CCC(C1)CCC23C(CC(C(=O)N2CCC4=C3NC5=C4C=C(C=C5)Cl)CC(=O)NCC6=CC=CO6)C(=O)N7CCOCC7 > C1CCC(C1)CC[C@@]23[C@H](C[C@@H](C(=O)N2CCC4=C3NC5=C4C=C(C=C5)Cl)CC(=O)NCC6=CC=CO6)C(=O)N7CCOCC7 > 108 > 620.2765481 > 0 > 44 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 13 6 12 23 5 14 20 8 16 27 5 20 26 8 26 30 8 26 31 8 30 35 8 31 38 8 35 39 8 38 39 8 41 42 8 42 43 8 43 44 8 6 41 8 6 44 8 8 14 8 8 30 8 $$$$