6956329 -OEChem-10051720073D 46 49 0 1 0 0 0 0 0999 V2000 -1.7008 2.9057 -0.2661 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0049 -1.7424 0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 2.4169 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 1.3732 -0.0523 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8846 -0.9018 0.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5536 0.0929 -0.0964 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7268 0.3608 0.0067 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -1.3598 0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 0.2501 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6872 -0.6610 -1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 1.0097 1.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 0.1004 -1.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3435 0.5741 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4538 -0.4929 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9332 -0.2846 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 -2.7020 0.1922 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9091 -0.5385 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0982 -2.6568 0.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 1.0351 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8553 1.8724 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 2.1088 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 -1.1114 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 -3.2293 -1.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 1.2843 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 0.0968 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2691 0.1993 0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7092 1.0351 -0.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6847 -0.7542 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5286 0.8029 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2409 -0.7444 -2.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 -1.6604 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 2.0446 0.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 1.0416 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7352 -0.4957 -1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 1.0522 -1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9049 -3.3852 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5010 0.0862 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3786 -0.5696 -0.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7837 -1.5454 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5685 -3.6462 0.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0191 -2.3746 1.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 3.1292 -0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7732 -2.0282 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5069 -2.5818 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 -3.2935 -1.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -4.2316 -1.2452 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 > DB03034 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GSDSWSVVBLHKDQ-SNVBAGLBSA-N/SDF?record_type=3d > C[C@@H]1COC2=C(N3CCN(C)CC3)C(F)=CC3=C2N1C=C(C(O)=O)C3=O > 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-/m1/s1 > GSDSWSVVBLHKDQ-SNVBAGLBSA-N > C18H20FN3O4 > 361.3675 > 361.143784348 > 7 > 46 > -0.6058476062629603 > 36.75052375835727 > 1 > 1 > 0 > 1 > (2R)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.0^{5,13}]trideca-5,7,9(13),11-tetraene-11-carboxylic acid > -0.02 > 0.09021636342487031 > -2.40 > 0 > 0 > 4 > -1 > 5.351541045910119 > 6.717421184026315 > 73.32000000000001 > 94.93589999999998 > 2 > 1 > 1.44e+00 g/l > tetrahydrofolic acid > 0 $$$$