60187142 -OEChem-05042418562D 66 71 0 1 0 0 0 0 0999 V2000 7.4355 -1.7671 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7034 -4.7671 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 4.1471 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 -1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 0.5135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -0.7671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 2.1471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 2.6471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6232 0.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 -0.1096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -0.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -3.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -4.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 2.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -0.4984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 0.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 3.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 3.5394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 4.2297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 2.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -2.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8384 -4.5771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -5.3871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 1.5271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.6874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 1.8286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 0.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.7671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1686 2.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 25 1 0 0 0 0 2 32 1 0 0 0 0 3 40 1 0 0 0 0 6 22 1 0 0 0 0 6 55 1 0 0 0 0 7 23 2 0 0 0 0 8 28 1 0 0 0 0 8 37 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 11 48 1 0 0 0 0 12 23 1 0 0 0 0 12 31 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 6 0 0 0 19 47 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 24 27 2 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 29 33 1 0 0 0 0 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 34 1 0 0 0 0 33 34 2 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 38 1 0 0 0 0 35 60 1 0 0 0 0 36 39 2 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 40 2 0 0 0 0 38 65 1 0 0 0 0 39 40 1 0 0 0 0 39 66 1 0 0 0 0 M END > 60187142 > 1 > 1030 > 8 > 3 > 5 > AAADceB7uYBAAAAAAAAAAAAAAABYAWAAAAA8YMEAAAAAAFgB9AAAHwQQSAAADizh3g4zx/PJlgKoAyRiVHDCiDAhIiAImTg+bJiOduLE8ZuUcChu1hvY6CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1R)-N-(4-fluorophenyl)-1'-(3-fluorophenyl)sulfonyl-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C28H26F2N4O5S/c1-39-20-9-10-22-23(12-20)32-26-24(13-35)34(27(36)31-19-7-5-17(29)6-8-19)16-28(25(22)26)14-33(15-28)40(37,38)21-4-2-3-18(30)11-21/h2-12,24,32,35H,13-16H2,1H3,(H,31,36)/t24-/m0/s1 > RZSGVASDFXHGIW-DEOSSOPVSA-N > 2.7 > 568.15919744 > C28H26F2N4O5S > 568.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)S(=O)(=O)C5=CC=CC(=C5)F)C(=O)NC6=CC=C(C=C6)F)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)S(=O)(=O)C5=CC=CC(=C5)F)C(=O)NC6=CC=C(C=C6)F)CO > 123 > 568.15919744 > 0 > 40 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 18 8 11 21 8 17 18 8 17 20 8 19 22 6 20 21 8 20 24 8 21 26 8 24 27 8 25 29 8 25 30 8 26 28 8 27 28 8 29 33 8 30 32 8 31 35 8 31 36 8 32 34 8 33 34 8 35 38 8 36 39 8 38 40 8 39 40 8 $$$$