54662893 -OEChem-04252410562D 62 66 0 1 0 0 0 0 0999 V2000 10.6224 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3342 -3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9845 2.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9789 3.8820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1591 -2.1603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3495 0.3231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7355 -2.8640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7245 -2.6549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6585 -0.6279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8495 -1.2157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4612 -1.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1532 -2.1595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3495 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0404 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4128 -0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7410 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 -0.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 1.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6440 0.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3221 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1422 -1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3233 -3.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1367 -1.8459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3178 -3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9777 1.6449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7191 -2.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 1.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2904 2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 2.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6241 3.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 3.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3468 -0.1292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1624 -1.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -1.6533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 -2.7120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9559 0.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2847 0.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7956 -2.6626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4980 -1.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0324 -0.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 -1.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7162 -0.2227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1855 -1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5406 -1.8004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7660 -3.9448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 -4.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2124 0.2614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6940 -1.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9659 -1.2499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2745 -4.1869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9194 -3.7184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7839 -3.1670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3357 -2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 -1.9338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 0.8518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8974 2.7213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 2.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 3.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 4.2848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 3.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 3.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 48 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 39 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 26 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 33 1 1 0 0 0 10 14 1 0 0 0 0 10 34 1 1 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 35 1 0 0 0 0 12 16 1 6 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 17 2 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 24 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 29 1 0 0 0 0 27 56 1 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 54662893 > 1 > 811 > 6 > 2 > 4 > AAADceB7uAAAAAAAAAAAAAAAAAAAAWLAAAA8QIAAAAAWAEABAAAAHgAQCAAADSzhmAYyBoPABgCIAiVSUACCCAAgIgAIiIGOCMgMdjKE9TuUcCAm1hGIqYe62YKeoAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-2-[(4-methyl-1-piperazinyl)-oxomethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)carbonyl-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizin-6-one > (2R,3R,3aS,9bS)-7-(4-methoxyphenyl)-3-methylol-2-(4-methylpiperazine-1-carbonyl)-1,2,3,3a,4,9b-hexahydropyrrol[2,3-a]indolizin-6-one > InChI=1S/C24H30N4O4/c1-26-9-11-27(12-10-26)24(31)22-19(14-29)18-13-28-20(21(18)25-22)8-7-17(23(28)30)15-3-5-16(32-2)6-4-15/h3-8,18-19,21-22,25,29H,9-14H2,1-2H3/t18-,19-,21+,22-/m1/s1 > KVJOCBSGQJITAE-KRXUUXHPSA-N > 0.2 > 438.22670545 > C24H30N4O4 > 438.5 > CN1CCN(CC1)C(=O)C2C(C3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)OC)C3N2)CO > CN1CCN(CC1)C(=O)[C@H]2[C@@H]([C@H]3CN4C(=CC=C(C4=O)C5=CC=C(C=C5)OC)[C@H]3N2)CO > 85.4 > 438.22670545 > 0 > 32 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 34 5 11 15 5 12 16 6 14 17 8 17 20 8 18 19 8 19 20 8 25 27 8 25 28 8 27 29 8 28 30 8 29 31 8 30 31 8 6 14 8 6 18 8 9 33 5 $$$$