60192288 -OEChem-04262402572D 67 71 0 1 0 0 0 0 0999 V2000 8.1286 -5.8100 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 4.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 3.4947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.8853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 2.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 1.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 1.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 1.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 0.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 4.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 4.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 5.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 0.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 2.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2592 2.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 0.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0367 3.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2636 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4167 4.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 0.0796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 36 1 0 0 0 0 2 21 1 0 0 0 0 2 56 1 0 0 0 0 3 22 2 0 0 0 0 4 24 2 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 48 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 57 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 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 21 1 6 0 0 0 15 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 36 2 0 0 0 0 34 66 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 M END > 60192288 > 1 > 799 > 5 > 3 > 4 > AAADceB7uQAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyVyVACCiCAhIiAImSE+bJiOduLEsZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-propanoyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(1-oxopropyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-propanoylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-propanoylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-propanoyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-carboxamide > (1R)-N-(4-fluorophenyl)-7-methoxy-1-methylol-2-propionyl-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-carboxamide > InChI=1S/C27H31FN4O4/c1-3-23(34)32-16-27(10-12-31(13-11-27)26(35)29-18-6-4-17(28)5-7-18)24-20-9-8-19(36-2)14-21(20)30-25(24)22(32)15-33/h4-9,14,22,30,33H,3,10-13,15-16H2,1-2H3,(H,29,35)/t22-/m0/s1 > CDDQZCPNXADXOW-QFIPXVFZSA-N > 2.5 > 494.23293364 > C27H31FN4O4 > 494.6 > CCC(=O)N1CC2(CCN(CC2)C(=O)NC3=CC=C(C=C3)F)C4=C(C1CO)NC5=C4C=CC(=C5)OC > CCC(=O)N1CC2(CCN(CC2)C(=O)NC3=CC=C(C=C3)F)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC > 97.9 > 494.23293364 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 16 8 12 19 8 15 21 6 19 20 8 19 23 8 20 25 8 23 27 8 25 28 8 27 28 8 30 32 8 30 33 8 32 34 8 33 35 8 34 36 8 35 36 8 8 16 8 8 20 8 $$$$