60190399 -OEChem-05122405472D 63 68 0 1 0 0 0 0 0999 V2000 13.3248 3.3301 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.3035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5841 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.6348 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -3.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1286 -3.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4503 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -1.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 1.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4587 2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.3154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.4386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -2.4852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -3.1667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.2525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1036 -4.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 -3.2962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 -2.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.2242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1897 3.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.9602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 3.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9957 1.5201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 22 1 0 0 0 0 2 56 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 6 19 1 0 0 0 0 6 23 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 7 49 1 0 0 0 0 8 23 1 0 0 0 0 8 28 1 0 0 0 0 8 55 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 18 2 0 0 0 0 15 20 1 0 0 0 0 16 17 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 1 0 0 0 0 19 22 1 6 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 26 2 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 2 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 M END > 60190399 > 1 > 752 > 5 > 3 > 5 > AAADceB7sQAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHwAQCAAADyzhng4zxvPJlgCoAyRiVACCiCAhIiAImSA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-1'-(cyclopropylmethyl)-N-(4-fluorophenyl)-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C26H29FN4O3/c1-34-19-8-9-20-21(10-19)29-24-22(12-32)31(25(33)28-18-6-4-17(27)5-7-18)15-26(23(20)24)13-30(14-26)11-16-2-3-16/h4-10,16,22,29,32H,2-3,11-15H2,1H3,(H,28,33)/t22-/m0/s1 > LAHPWHGHEMXATF-QFIPXVFZSA-N > 2.6 > 464.22236896 > C26H29FN4O3 > 464.5 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)CC5CC5)C(=O)NC6=CC=C(C=C6)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)CC5CC5)C(=O)NC6=CC=C(C=C6)F)CO > 80.8 > 464.22236896 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 15 18 8 15 20 8 19 22 6 20 21 8 20 24 8 21 25 8 24 26 8 25 27 8 26 27 8 28 29 8 28 30 8 29 32 8 30 33 8 32 34 8 33 34 8 7 18 8 7 21 8 $$$$