6956357 -OEChem-10051719303D 46 49 0 1 0 0 0 0 0999 V2000 -1.7004 2.9139 0.1458 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 -1.7559 -0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 2.4204 0.0187 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7284 1.3740 -0.0263 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8849 -0.9074 -0.0911 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5561 0.1088 -0.0646 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7267 0.3579 0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 -1.3682 -0.1046 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 0.0134 1.2486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7195 -0.4449 -1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 0.7997 1.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 0.3444 -1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 0.5719 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4541 -0.5004 -0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9330 -0.2905 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 -2.7092 -0.0391 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9091 -0.5421 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1013 -2.7017 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4074 1.0341 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8552 1.8756 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5190 2.1122 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 -1.1187 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1377 -3.1613 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 1.2843 -0.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 0.0931 -0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 0.1965 -0.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7191 1.1064 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6426 -1.0489 1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4737 0.4290 2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2992 -0.3498 -2.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 -1.5045 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 1.8712 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 0.6508 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 -0.1160 -2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6234 1.3754 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9029 -3.4205 -0.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4057 -0.3869 -0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7758 -1.6076 0.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4800 -0.0574 0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0106 -2.4749 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5712 -3.6889 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8765 3.1367 0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7733 -2.0377 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5178 -2.4822 2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6973 -4.1620 1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 -3.2007 1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 24 2 0 0 0 0 4 26 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 17 1 0 0 0 0 6 27 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 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 14 1 0 0 0 0 13 20 2 0 0 0 0 14 15 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 2 4 -1 6 1 M END > DB01137 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GSDSWSVVBLHKDQ-JTQLQIEISA-N/SDF?record_type=3d > C[C@H]1COC2=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)/t10-/m0/s1 > GSDSWSVVBLHKDQ-JTQLQIEISA-N > C18H20FN3O4 > 361.3675 > 361.143784348 > 7 > 46 > -0.6058476062629603 > 36.69213757884126 > 1 > 1 > 0 > 1 > (2S)-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 $$$$