60187043 -OEChem-05102416372D 78 84 0 1 0 0 0 0 0999 V2000 13.3248 5.1615 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 4.6615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.5280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -2.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.1615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.3385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 3.4663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 3.1615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0422 -1.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.6615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 4.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.8385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 1.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -2.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -3.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 4.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6180 -3.9544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 3.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 5.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 4.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6125 -4.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -4.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0193 -4.9725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4370 -5.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4315 -5.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 1.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.0539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -0.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.4211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 4.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 4.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 5.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -1.2308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -1.9211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 3.0762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 -3.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 2.5415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 4.9715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.8712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 0.0511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 3.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 5.7815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9770 -3.5574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4136 -4.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6359 -5.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0725 -6.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6837 -6.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 22 1 0 0 0 0 2 65 1 0 0 0 0 3 24 2 0 0 0 0 4 29 1 0 0 0 0 4 35 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 23 1 0 0 0 0 8 16 1 0 0 0 0 8 21 1 0 0 0 0 8 56 1 0 0 0 0 9 24 1 0 0 0 0 9 31 1 0 0 0 0 9 64 1 0 0 0 0 10 27 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 18 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 19 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 22 1 1 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 27 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 25 28 2 0 0 0 0 25 61 1 0 0 0 0 26 29 2 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 63 1 0 0 0 0 30 32 2 0 0 0 0 30 66 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 33 67 1 0 0 0 0 34 38 2 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 2 0 0 0 0 37 72 1 0 0 0 0 38 39 1 0 0 0 0 38 73 1 0 0 0 0 40 42 1 0 0 0 0 40 74 1 0 0 0 0 41 43 2 0 0 0 0 41 75 1 0 0 0 0 42 44 2 0 0 0 0 42 76 1 0 0 0 0 43 44 1 0 0 0 0 43 77 1 0 0 0 0 44 78 1 0 0 0 0 M END > 60187043 > 1 > 969 > 7 > 3 > 6 > AAADcfB/uQAAAAAAAAAAAAAAAAAAAWLAAAA8eMECAAAAAFgB/AAAHwAUCAAADizhng4zxvPZlgCpA6RyVgCCiCAlIiAomSE+bNqOdvrEtZuUcahu1hvY6ee82POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenylisoxazol-3-yl)methyl]spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-3-isoxazolyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-1,2-oxazol-3-yl)methyl]spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-1,2-oxazol-3-yl)methyl]spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[(5-phenyl-1,2-oxazol-3-yl)methyl]spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-7-methoxy-1-methylol-1'-[(5-phenylisoxazol-3-yl)methyl]spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide > InChI=1S/C34H34FN5O4/c1-43-26-11-12-27-28(18-26)37-32-29(20-41)40(33(42)36-24-9-7-23(35)8-10-24)21-34(31(27)32)13-15-39(16-14-34)19-25-17-30(44-38-25)22-5-3-2-4-6-22/h2-12,17-18,29,37,41H,13-16,19-21H2,1H3,(H,36,42)/t29-/m1/s1 > JTMYGCMOOIOLPA-GDLZYMKVSA-N > 4.2 > 595.25948274 > C34H34FN5O4 > 595.7 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)CC5=NOC(=C5)C6=CC=CC=C6)C(=O)NC7=CC=C(C=C7)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)CC5=NOC(=C5)C6=CC=CC=C6)C(=O)NC7=CC=C(C=C7)F)CO > 107 > 595.25948274 > 0 > 44 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 27 8 15 16 8 15 20 8 17 22 5 20 21 8 20 25 8 21 26 8 25 28 8 26 29 8 27 30 8 28 29 8 30 32 8 31 33 8 31 34 8 33 37 8 34 38 8 36 40 8 36 41 8 37 39 8 38 39 8 40 42 8 41 43 8 42 44 8 43 44 8 5 10 8 5 32 8 8 16 8 8 21 8 $$$$