60189999 -OEChem-04182421022D 66 71 0 1 0 0 0 0 0999 V2000 6.3966 -2.5171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -5.5171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.8971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.8971 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -0.0171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 3.2018 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.5171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.3971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9946 3.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 2.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8607 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 2.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 4.3971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 4.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 2.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 1.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -4.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 1.3145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 2.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 1.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 0.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 0.2516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 1.1284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0211 3.4960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 3.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 3.8720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 1.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 1.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 2.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 3.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 4.9797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 4.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 0.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 4.7417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 3.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 2.8117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -0.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 -1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 5.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -2.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -0.2133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 0.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7256 -4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5316 -4.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 36 1 0 0 0 0 3 23 1 0 0 0 0 3 60 1 0 0 0 0 4 24 2 0 0 0 0 5 29 1 0 0 0 0 5 33 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 24 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 8 26 1 0 0 0 0 9 24 1 0 0 0 0 9 30 1 0 0 0 0 9 59 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 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 1 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 27 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 28 2 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 34 1 0 0 0 0 32 35 2 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 M END > 60189999 > 1 > 825 > 6 > 2 > 5 > AAADceB7sYAAAAAAAAAAAAAAGABYAWAAAAA8YIAAAAAAAFgB9AAAHwAQCAAADyzhng4zxvPMFgCoAyRiVACCiCAhIiAI2CA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-N-[2,4-bis(fluoranyl)phenyl]-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-2-(cyclopropylmethyl)-N-(2,4-difluorophenyl)-7-methoxy-9-methyl-1-methylol-spiro[1,3-dihydro-beta-carboline-4,3'-azetidine]-1'-carboxamide > InChI=1S/C27H30F2N4O3/c1-31-22-10-18(36-2)6-7-19(22)24-25(31)23(12-34)32(11-16-3-4-16)13-27(24)14-33(15-27)26(35)30-21-8-5-17(28)9-20(21)29/h5-10,16,23,34H,3-4,11-15H2,1-2H3,(H,30,35)/t23-/m1/s1 > ANGGGRIYABJACC-HSZRJFAPSA-N > 2.6 > 496.22859716 > C27H30F2N4O3 > 496.5 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)C(=O)NC5=C(C=C(C=C5)F)F)CC6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)NC5=C(C=C(C=C5)F)F)CC6CC6)CO > 70 > 496.22859716 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 18 8 14 21 8 16 23 5 21 22 8 21 25 8 22 27 8 25 28 8 27 29 8 28 29 8 30 31 8 30 32 8 31 34 8 32 35 8 34 36 8 35 36 8 8 18 8 8 22 8 $$$$