60193868 -OEChem-05052411002D 61 66 0 1 0 0 0 0 0999 V2000 8.9946 -0.1699 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3301 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 1.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -3.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1286 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -2.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1036 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 -3.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 -2.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.3051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.4501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.7899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 0.0201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 16 2 0 0 0 0 3 22 1 0 0 0 0 3 54 1 0 0 0 0 4 27 1 0 0 0 0 4 33 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 14 1 0 0 0 0 6 20 1 0 0 0 0 7 15 1 0 0 0 0 7 21 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 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 1 0 0 0 14 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 2 0 0 0 0 19 23 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 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 27 2 0 0 0 0 24 52 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 28 30 2 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END > 60193868 > 1 > 742 > 5 > 2 > 5 > AAADceB7MQAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHwAQCAAADyzhng4yxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLE8ZuUcChm1hnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclopropyl-[(1S)-2-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclopropyl-[(1S)-2-(2-fluorobenzyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-1'-yl]methanone > InChI=1S/C26H28FN3O3/c1-33-18-8-9-19-21(10-18)28-24-22(12-31)29(11-17-4-2-3-5-20(17)27)13-26(23(19)24)14-30(15-26)25(32)16-6-7-16/h2-5,8-10,16,22,28,31H,6-7,11-15H2,1H3/t22-/m1/s1 > AULPQRXGMXGCIO-JOCHJYFZSA-N > 2.4 > 449.21146993 > C26H28FN3O3 > 449.5 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)C(=O)C5CC5)CC6=CC=CC=C6F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)C5CC5)CC6=CC=CC=C6F)CO > 68.8 > 449.21146993 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 8 12 19 8 14 22 5 19 21 8 19 23 8 21 24 8 23 26 8 24 27 8 25 28 8 25 29 8 26 27 8 28 30 8 29 31 8 30 32 8 31 32 8 7 15 8 7 21 8 $$$$