60194032 -OEChem-04232405222D 64 69 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 9.8606 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 8.9946 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 1.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8607 2.1471 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 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 5.0430 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 3.4024 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 10.0211 2.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 0.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 0.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 2.7577 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 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 5.4128 -0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.9917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 3.2098 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 31 1 0 0 0 0 2 17 2 0 0 0 0 3 22 1 0 0 0 0 3 57 1 0 0 0 0 4 28 1 0 0 0 0 4 34 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 20 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 21 1 0 0 0 0 7 24 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 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 1 0 0 0 13 41 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 21 2 0 0 0 0 16 23 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M END > 60194032 > 1 > 772 > 5 > 1 > 5 > AAADceB7MQAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHwAACAAADyzhng4yxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopropyl-[(1S)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopropyl-[(1S)-1'-(3-fluorobenzyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-2-yl]methanone > InChI=1S/C27H30FN3O3/c1-29-22-11-20(34-2)8-9-21(22)24-25(29)23(13-32)31(26(33)18-6-7-18)16-27(24)14-30(15-27)12-17-4-3-5-19(28)10-17/h3-5,8-11,18,23,32H,6-7,12-16H2,1-2H3/t23-/m1/s1 > WFMRPXWGVXUTEN-HSZRJFAPSA-N > 2.4 > 463.22711999 > C27H30FN3O3 > 463.5 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)CC5=CC(=CC=C5)F)C(=O)C6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)CC5=CC(=CC=C5)F)C(=O)C6CC6)CO > 57.9 > 463.22711999 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 14 8 12 16 8 13 22 5 16 21 8 16 23 8 21 26 8 23 27 8 25 29 8 25 30 8 26 28 8 27 28 8 29 31 8 30 32 8 31 33 8 32 33 8 7 14 8 7 21 8 $$$$