70482199 -OEChem-03292406192D 50 53 0 1 0 0 0 0 0999 V2000 11.4180 -0.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 7.9376 -0.5346 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 2.5242 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4052 -1.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2841 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4180 3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 0.4758 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5796 0.2340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 0.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0778 -0.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2408 0.8791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0552 -0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 -0.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9260 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4180 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8200 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6860 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2388 -0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 -0.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2717 -1.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 1.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 1.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1224 -1.1354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -0.5167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3252 0.7995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9332 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 0.1403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3832 -0.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -1.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2830 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8210 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 3 18 1 0 0 0 0 4 33 1 0 0 0 0 5 21 2 0 0 0 0 6 23 2 0 0 0 0 7 30 1 0 0 0 0 7 50 1 0 0 0 0 8 30 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 41 1 0 0 0 0 11 19 1 0 0 0 0 11 24 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 27 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 29 47 1 0 0 0 0 31 33 2 0 0 0 0 31 48 1 0 0 0 0 32 33 1 0 0 0 0 32 49 1 0 0 0 0 M END > 70482199 > 1 > 846 > 9 > 2 > 4 > AAADceB7OYAAAgAAAAAAAAAAAAAAAWAAAAAwYIAAAAAAAACBQAAAHwAwCAAADCzDmAwyyIPAAgCIAqXWWACCAAAlAgAIiIEIZMgIZH7I1dGUYYhktgDI2ceY2aOeCAAAAAQCAAAQAAAACAQAAAAAAAAAAA== > 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-1-(4-fluoro-2-iodo-phenyl)-4-oxo-quinoline-3-carboxylic acid > 7-(3-acetamido-1-pyrrolidinyl)-6,8-difluoro-1-(4-fluoro-2-iodophenyl)-4-oxo-3-quinolinecarboxylic acid > 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-1-(4-fluoro-2-iodophenyl)-4-oxoquinoline-3-carboxylic acid > 7-(3-acetamidopyrrolidin-1-yl)-6,8-difluoro-1-(4-fluoro-2-iodophenyl)-4-oxoquinoline-3-carboxylic acid > 7-(3-acetamidopyrrolidin-1-yl)-6,8-bis(fluoranyl)-1-(4-fluoranyl-2-iodanyl-phenyl)-4-oxidanylidene-quinoline-3-carboxylic acid > 7-(3-acetamidopyrrolidino)-6,8-difluoro-1-(4-fluoro-2-iodo-phenyl)-4-keto-quinoline-3-carboxylic acid > InChI=1S/C22H17F3IN3O4/c1-10(30)27-12-4-5-28(8-12)20-15(24)7-13-19(18(20)25)29(9-14(21(13)31)22(32)33)17-3-2-11(23)6-16(17)26/h2-3,6-7,9,12H,4-5,8H2,1H3,(H,27,30)(H,32,33) > DTHQPIYHSVYGEG-UHFFFAOYSA-N > 4.1 > 571.02159 > C22H17F3IN3O4 > 571.3 > CC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)I)F > CC(=O)NC1CCN(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)I)F > 90 > 571.02159 > 0 > 33 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 10 3 11 19 8 11 24 8 16 17 8 16 18 8 17 19 8 18 22 8 19 20 8 20 22 8 20 23 8 23 25 8 24 25 8 26 28 8 26 29 8 28 31 8 29 32 8 31 33 8 32 33 8 $$$$