60192329 -OEChem-05102422572D 63 68 0 1 0 0 0 0 0999 V2000 7.4355 -1.9977 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2445 -3.5855 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4977 3.9165 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4355 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4355 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 3.9165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 3.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 0.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -0.9977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 1.9165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6232 2.2213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.9165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 0.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7284 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1426 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3015 0.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 0.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 1.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 2.4165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6232 0.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 1.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1675 2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2159 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4355 -2.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 1.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1869 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5790 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6265 -3.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9355 -4.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 -4.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8996 3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 1.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 3.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6316 3.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 -0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 -0.7290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5810 0.1478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5136 0.3339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 1.0242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9724 2.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 2.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0461 3.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6475 3.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5857 -0.8378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6501 1.8312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9364 -1.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 1.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5695 4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0368 -3.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5711 -5.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -5.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3627 3.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 1.2965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.4568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 1.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4967 0.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7656 4.5365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1686 2.1065 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 25 1 0 0 0 0 2 32 1 0 0 0 0 3 38 1 0 0 0 0 6 22 1 0 0 0 0 6 53 1 0 0 0 0 7 23 2 0 0 0 0 8 28 1 0 0 0 0 8 35 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 46 1 0 0 0 0 12 23 1 0 0 0 0 12 31 1 0 0 0 0 12 52 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 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 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 1 0 0 0 19 45 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 47 1 0 0 0 0 22 48 1 0 0 0 0 24 27 2 0 0 0 0 24 49 1 0 0 0 0 25 29 2 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 37 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 38 2 0 0 0 0 36 62 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 M END > 60192329 > 1 > 985 > 8 > 3 > 5 > AAADceB7uQBgAAAAAAAAAAAAAABYAWJAAAA8YIAAAAAAAFgB/AAAHwQQSAAADizl3g6zx/PJlgqsAyRiVHDDibAhKjBImTg+bJiOduLk8ZuUcChu1hv46CeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(2-thienylsulfonyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-thiophen-2-ylsulfonyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide > (1S)-N-(4-fluorophenyl)-7-methoxy-1-methylol-1'-(2-thienylsulfonyl)spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-carboxamide > InChI=1S/C26H25FN4O5S2/c1-36-18-8-9-19-20(11-18)29-24-21(12-32)31(25(33)28-17-6-4-16(27)5-7-17)15-26(23(19)24)13-30(14-26)38(34,35)22-3-2-10-37-22/h2-11,21,29,32H,12-15H2,1H3,(H,28,33)/t21-/m1/s1 > YFZOAZQASIWBKI-OAQYLSRUSA-N > 2.7 > 556.12504042 > C26H25FN4O5S2 > 556.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)S(=O)(=O)C5=CC=CS5)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=CS5)C(=O)NC6=CC=C(C=C6)F)CO > 152 > 556.12504042 > 0 > 38 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 18 8 11 21 8 17 18 8 17 20 8 19 22 5 2 25 8 2 32 8 20 21 8 20 24 8 21 26 8 24 27 8 25 29 8 26 28 8 27 28 8 29 30 8 30 32 8 31 33 8 31 34 8 33 36 8 34 37 8 36 38 8 37 38 8 $$$$