4583 -OEChem-10051719313D 46 49 0 1 0 0 0 0 0999 V2000 -1.6951 -2.9042 0.0812 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 1.7712 -0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -2.4092 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6229 -1.2858 0.5635 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9711 0.6585 -0.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7212 -0.3460 0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 1.3819 -0.0839 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5700 -0.1483 -0.0651 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5162 -0.8102 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4259 -0.2962 -1.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 2.7213 0.0097 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3383 -0.5598 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 0.3039 -0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 0.5143 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8482 -0.0590 1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 0.4392 -1.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0973 2.7283 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 -1.0212 -0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.8647 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 1.1325 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 -2.1007 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.1440 1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8785 -1.2713 -0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8639 0.5268 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -0.0805 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -0.1651 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -1.8875 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9702 -0.6429 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8199 0.2250 -2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5936 -1.3179 -1.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 3.4427 -0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4497 -0.5000 2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6637 0.9902 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5722 1.5040 -0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2957 0.3706 -2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 3.7140 -0.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 2.5231 -1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7951 2.0425 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 -3.1261 0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1341 3.1737 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7058 4.1433 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.4530 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7604 1.5935 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4822 0.0649 0.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4177 0.4290 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 -1.3780 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 23 2 0 0 0 0 4 26 1 0 0 0 0 4 46 1 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 24 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 25 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 M END > DB01165 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GSDSWSVVBLHKDQ-UHFFFAOYSA-N/SDF?record_type=3d > CC1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1 > InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25) > GSDSWSVVBLHKDQ-UHFFFAOYSA-N > C18H20FN3O4 > 361.3675 > 361.143784348 > 7 > 46 > -0.6058476062629603 > 36.69213757884126 > 1 > 1 > 0 > 1 > 7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5(13),6,8,11-tetraene-11-carboxylic acid > -0.02 > 0.09021636342487031 > -2.40 > 0 > 0 > 4 > -1 > 5.351541045910119 > 6.717421184026315 > 73.32 > 94.93590000000002 > 2 > 1 > 1.44e+00 g/l > tetrahydrofolic acid > 0 $$$$