60185087 -OEChem-04232416062D 79 84 0 1 0 0 0 0 0999 V2000 6.3966 3.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 3.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.0960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.2912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.2912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2626 -2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -4.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 -2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -4.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -3.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 -2.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 -4.2033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -4.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5437 -2.4376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7322 -2.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 -5.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7777 -4.6634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2129 -3.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1261 -3.0844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1942 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 1.3163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5146 3.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 3.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6708 1.7086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0693 2.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9912 4.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1942 4.2662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 68 1 0 0 0 0 2 27 2 0 0 0 0 3 32 1 0 0 0 0 3 37 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 27 1 0 0 0 0 7 16 1 0 0 0 0 7 23 1 0 0 0 0 7 56 1 0 0 0 0 8 29 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 15 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 16 2 0 0 0 0 13 20 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 26 1 1 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 51 1 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 30 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 61 1 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 28 31 2 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 33 35 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 34 36 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 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 37 79 1 0 0 0 0 M END > 60185087 > 1 > 778 > 6 > 2 > 6 > AAADcfB7uAAAAAAAAAAAAAAAAAAAAeIAAAA8WLEAAAAAAFgB8AAAHgAQCAAADyzhngYyxvPJlgCoAyVyVACCiCAhIiAImSC+bJgOduLEsbuXcChm1hnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]-2-morpholino-ethanone > 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(4-morpholinyl)ethanone > 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]-2-morpholin-4-ylethanone > 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]-2-morpholin-4-ylethanone > 1-[(1S)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]-2-morpholin-4-yl-ethanone > 1-[(1S)-1'-(cyclopentylmethyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-yl]-2-morpholino-ethanone > InChI=1S/C29H42N4O4/c1-36-22-6-7-23-24(16-22)30-28-25(19-34)33(26(35)18-32-12-14-37-15-13-32)20-29(27(23)28)8-10-31(11-9-29)17-21-4-2-3-5-21/h6-7,16,21,25,30,34H,2-5,8-15,17-20H2,1H3/t25-/m1/s1 > NEXKXEQOOLRNQD-RUZDIDTESA-N > 2.6 > 510.32060583 > C29H42N4O4 > 510.7 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)CC5CCCC5)C(=O)CN6CCOCC6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5CCCC5)C(=O)CN6CCOCC6)CO > 81.3 > 510.32060583 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 20 8 17 26 5 20 23 8 20 28 8 23 30 8 28 31 8 30 32 8 31 32 8 7 16 8 7 23 8 $$$$