60193819 -OEChem-03282417292D 66 71 0 1 0 0 0 0 0999 V2000 10.7267 -4.2671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3248 3.6471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4503 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -1.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3976 -2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 3.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 1.8371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 38 1 0 0 0 0 3 20 1 0 0 0 0 3 55 1 0 0 0 0 4 21 2 0 0 0 0 5 26 1 0 0 0 0 5 35 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 18 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 21 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 48 1 0 0 0 0 9 21 1 0 0 0 0 9 29 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 6 0 0 0 16 45 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 18 47 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 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 27 30 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 33 2 0 0 0 0 29 34 1 0 0 0 0 30 32 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 33 36 1 0 0 0 0 33 60 1 0 0 0 0 34 37 2 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 38 2 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 66 1 0 0 0 0 M END > 60193819 > 1 > 829 > 6 > 3 > 5 > AAADceB7sYAAAAAAAAAAAAAAAABYAWAAAAA8YMEAAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyRiVACCiCAhIiAImSA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(4-fluorobenzyl)-N-(4-fluorophenyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C29H28F2N4O3/c1-38-22-10-11-23-24(12-22)33-27-25(14-36)35(28(37)32-21-8-6-20(31)7-9-21)17-29(26(23)27)15-34(16-29)13-18-2-4-19(30)5-3-18/h2-12,25,33,36H,13-17H2,1H3,(H,32,37)/t25-/m0/s1 > TYYAXNOTVNQIGJ-VWLOTQADSA-N > 3.4 > 518.21294709 > C29H28F2N4O3 > 518.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)CC5=CC=C(C=C5)F)C(=O)NC6=CC=C(C=C6)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)CC5=CC=C(C=C5)F)C(=O)NC6=CC=C(C=C6)F)CO > 80.8 > 518.21294709 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 8 14 17 8 16 20 6 17 19 8 17 22 8 19 24 8 22 25 8 23 27 8 23 28 8 24 26 8 25 26 8 27 30 8 28 31 8 29 33 8 29 34 8 30 32 8 31 32 8 33 36 8 34 37 8 36 38 8 37 38 8 8 15 8 8 19 8 $$$$