60189830 -OEChem-03192404522D 53 57 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 7.2626 -0.0171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 2.8971 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 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 8.1286 1.8971 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 7.2626 3.3971 0.0000 C 0 0 1 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 -1.0171 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 5.0430 0.6404 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 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 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 7.7995 3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6655 3.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 3.7912 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 3.4771 2.8117 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 3.7635 -0.0420 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 26 1 0 0 0 0 2 31 1 0 0 0 0 3 20 1 0 0 0 0 3 47 1 0 0 0 0 4 19 2 0 0 0 0 5 24 1 0 0 0 0 5 28 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 19 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 39 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 8 40 1 0 0 0 0 9 19 1 0 0 0 0 9 25 1 0 0 0 0 9 45 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 32 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 20 1 1 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 M END > 60189830 > 1 > 679 > 6 > 4 > 3 > AAADceB7sYAAAAAAAAAAAAAAAABYAWAAAAA8YIAAAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyRiVACCiCAhIiAImaA+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-N-(2,4-difluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-N-[2,4-bis(fluoranyl)phenyl]-1-(hydroxymethyl)-7-methoxy-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,3'-azetidine]-1'-carboxamide > (1S)-N-(2,4-difluorophenyl)-7-methoxy-1-methylol-spiro[1,2,3,9-tetrahydro-beta-carboline-4,3'-azetidine]-1'-carboxamide > InChI=1S/C22H22F2N4O3/c1-31-13-3-4-14-17(7-13)26-20-18(8-29)25-9-22(19(14)20)10-28(11-22)21(30)27-16-5-2-12(23)6-15(16)24/h2-7,18,25-26,29H,8-11H2,1H3,(H,27,30)/t18-/m1/s1 > CDZHALMAZFHOTE-GOSISDBHSA-N > 1.5 > 428.16599690 > C22H22F2N4O3 > 428.4 > COC1=CC2=C(C=C1)C3=C(N2)C(NCC34CN(C4)C(=O)NC5=C(C=C(C=C5)F)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](NCC34CN(C4)C(=O)NC5=C(C=C(C=C5)F)F)CO > 89.6 > 428.16599690 > 0 > 31 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 15 8 13 17 8 16 20 5 17 18 8 17 21 8 18 22 8 21 23 8 22 24 8 23 24 8 25 26 8 25 27 8 26 29 8 27 30 8 29 31 8 30 31 8 8 15 8 8 18 8 $$$$