60184166 -OEChem-04242412092D 68 72 0 1 0 0 0 0 0999 V2000 12.4587 0.4400 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.3064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.2447 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1286 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.6353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.8144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -2.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -3.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -4.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6846 -5.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3046 -4.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.1704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -0.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 20 1 0 0 0 0 2 56 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 28 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 48 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 37 1 0 0 0 0 10 38 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 20 1 1 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 35 2 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 M END > 60184166 > 1 > 796 > 5 > 2 > 5 > AAADcfB7OQAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADizhng4yxvPJlgCoAyVyVACCiCAlIiAImSE+bNgOdvLEtZuUcShm1hnY6YeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-2-(4-fluorobenzoyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1S)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone > 1-[(1S)-2-(4-fluorobenzoyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1S)-2-(4-fluorobenzoyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1S)-2-(4-fluorophenyl)carbonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]butan-1-one > 1-[(1S)-2-(4-fluorobenzoyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-yl]butan-1-one > InChI=1S/C28H32FN3O4/c1-3-4-24(34)31-13-11-28(12-14-31)17-32(27(35)18-5-7-19(29)8-6-18)23(16-33)26-25(28)21-10-9-20(36-2)15-22(21)30-26/h5-10,15,23,30,33H,3-4,11-14,16-17H2,1-2H3/t23-/m1/s1 > FPDPASWIZYFWCD-HSZRJFAPSA-N > 3.1 > 493.23768467 > C28H32FN3O4 > 493.6 > CCCC(=O)N1CCC2(CC1)CN(C(C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5=CC=C(C=C5)F > CCCC(=O)N1CCC2(CC1)CN([C@@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5=CC=C(C=C5)F > 85.9 > 493.23768467 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 18 8 15 20 5 18 19 8 18 23 8 19 24 8 23 26 8 24 28 8 26 28 8 27 30 8 27 31 8 30 33 8 31 34 8 33 35 8 34 35 8 8 14 8 8 19 8 $$$$