54664226 -OEChem-05142401242D 72 76 0 1 0 0 0 0 0999 V2000 9.0367 1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -2.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3988 3.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8142 -3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5734 -0.5770 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7638 1.9065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 -1.2806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 -1.0716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0728 0.9554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2638 0.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8755 0.3690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5675 -0.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7638 1.9065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 0.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8271 0.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 -1.3870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1553 -1.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 0.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 2.6912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9923 -1.2842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7364 1.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5565 -0.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7376 -2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5510 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7321 -1.9851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 3.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5893 -0.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1334 -0.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 -1.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2279 -3.8171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 2.0742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 1.4541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5768 -0.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3133 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2862 -1.1287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 2.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 2.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9123 0.0623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4467 0.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8172 -1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5447 -1.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 0.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9549 -0.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 -2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9085 -2.6856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6267 1.8448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1083 0.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3802 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6888 -2.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3337 -2.1351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 0.1308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 3.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 -2.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1982 -1.5836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7500 -0.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0685 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 -1.0149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7256 -3.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 -4.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7301 -4.1807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5115 2.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9065 1.4853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6893 1.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 53 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 27 1 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 37 1 1 0 0 0 10 14 1 0 0 0 0 10 38 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 39 1 0 0 0 0 12 17 1 6 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 20 27 1 0 0 0 0 20 28 2 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 30 2 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 29 34 2 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 60 1 0 0 0 0 31 33 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END > 54664226 > 1 > 938 > 6 > 1 > 6 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAWLAAAA8QIAAAAAWAEABAAAAHgAACAAADSzhmAYyBoMABgCIAiVSUACCCAAgIgAIiAGODMgMdjKE8TuUcChmxhGIqYe62SIegAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1-piperazinyl)-oxomethyl]-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazine-1-carbonyl)-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)carbonyl-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-methylol-2-(4-methylpiperazine-1-carbonyl)-1-o-anisyl-7-[(Z)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrol[2,3-a]indolizin-6-one > InChI=1S/C28H36N4O4/c1-4-7-19-10-11-23-25-21(17-31(23)27(19)34)22(18-33)26(28(35)30-14-12-29(2)13-15-30)32(25)16-20-8-5-6-9-24(20)36-3/h4-11,21-22,25-26,33H,12-18H2,1-3H3/b7-4-/t21-,22-,25+,26-/m1/s1 > OGWDKAKSFNXGPR-DVEOOOLASA-N > 1.5 > 492.27365564 > C28H36N4O4 > 492.6 > CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4=CC=CC=C4OC)C(=O)N5CCN(CC5)C)CO > C/C=C\C1=CC=C2[C@@H]3[C@H](CN2C1=O)[C@H]([C@@H](N3CC4=CC=CC=C4OC)C(=O)N5CCN(CC5)C)CO > 76.6 > 492.27365564 > 0 > 36 > 4 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 38 5 11 15 5 12 17 6 14 18 8 18 22 8 19 21 8 20 27 8 20 28 8 21 22 8 27 30 8 28 31 8 30 33 8 31 33 8 6 14 8 6 19 8 9 37 5 $$$$