60184411 -OEChem-04252402522D 63 67 0 1 0 0 0 0 0999 V2000 10.7267 -1.1029 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 1.7018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4503 0.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 -0.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.1855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.5048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.7894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.3117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -3.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -2.4345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5086 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7486 -4.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 1.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1296 0.0871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.8932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 19 1 0 0 0 0 2 53 1 0 0 0 0 3 18 2 0 0 0 0 4 26 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 18 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 17 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 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 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 19 1 1 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 23 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 2 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 60184411 > 1 > 717 > 5 > 1 > 5 > AAADceB7MQAAAAAAAAAAAAAAAABYAWAAAAA8YIAAAAAAAFgB9AAAHwAACAAADizhng4yxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOduLE8ZuUcChmxhnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-propanone > 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]propan-1-one > 1-[(1S)-2-(3-fluorobenzyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-yl]propan-1-one > InChI=1S/C26H30FN3O3/c1-4-23(32)30-15-26(16-30)14-29(12-17-6-5-7-18(27)10-17)22(13-31)25-24(26)20-9-8-19(33-3)11-21(20)28(25)2/h5-11,22,31H,4,12-16H2,1-3H3/t22-/m1/s1 > HCLPQGQTVXTRKX-JOCHJYFZSA-N > 2.4 > 451.22711999 > C26H30FN3O3 > 451.5 > CCC(=O)N1CC2(C1)CN(C(C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5=CC(=CC=C5)F > CCC(=O)N1CC2(C1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)CC5=CC(=CC=C5)F > 57.9 > 451.22711999 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 15 8 14 19 5 15 16 8 15 20 8 16 22 8 20 25 8 22 26 8 24 28 8 24 29 8 25 26 8 28 30 8 29 31 8 30 32 8 31 32 8 7 13 8 7 16 8 $$$$