60190378 -OEChem-05042418462D 67 72 0 1 0 0 0 0 0999 V2000 8.9946 -4.7671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.6471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.9447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -1.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -1.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 2.7663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 3.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 1.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9004 0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2758 2.9183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 3.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 0.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 0.6925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9449 1.4463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8582 2.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -1.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -1.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -3.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.1432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.9633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 60 1 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 19 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 42 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 26 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 27 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 25 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 28 2 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 60190378 > 1 > 771 > 5 > 2 > 5 > AAADcfB7MQAAAAAAAAAAAAAAAABYAeIAAAA8YIAAAAAAAFgB9AAAHwAQCAAADyzhng4yxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLE8ZuUcChm1hnY6AeY2PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1'-(3-fluorobenzyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-yl]methanone > InChI=1S/C28H32FN3O3/c1-35-21-9-10-22-23(12-21)30-26-24(14-33)32(27(34)19-6-2-3-7-19)17-28(25(22)26)15-31(16-28)13-18-5-4-8-20(29)11-18/h4-5,8-12,19,24,30,33H,2-3,6-7,13-17H2,1H3/t24-/m1/s1 > DWKAXGRVRRNWGK-XMMPIXPASA-N > 3.5 > 477.24277005 > C28H32FN3O3 > 477.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)CC5=CC(=CC=C5)F)C(=O)C6CCCC6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)CC5=CC(=CC=C5)F)C(=O)C6CCCC6)CO > 68.8 > 477.24277005 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 15 8 13 20 5 15 19 8 15 23 8 19 27 8 23 28 8 26 30 8 26 31 8 27 29 8 28 29 8 30 32 8 31 33 8 32 34 8 33 34 8 7 14 8 7 19 8 $$$$