208953 -OEChem-10051722453D 42 44 0 0 0 0 0 0 0999 V2000 -2.7868 -2.5207 -0.5538 P 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 3.3782 -0.7830 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6401 1.9615 0.5652 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3941 1.4590 -1.5361 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -2.5475 0.5104 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 0.2656 0.7419 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2149 -2.0132 -1.1166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0951 -4.0228 -0.0418 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3662 2.7766 0.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6517 -2.4094 -1.5283 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 -0.7315 0.2023 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -0.1802 0.5975 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0865 2.5130 -0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.0915 0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 -0.8493 1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 -1.9041 -0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 0.3376 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4326 1.4385 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -0.4567 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9629 1.6868 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 -1.3345 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0017 -2.3349 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2959 2.2390 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5533 -1.5906 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 0.6245 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7654 2.0488 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3635 2.0747 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 0.1045 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -1.5734 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 -2.7235 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1538 -1.6801 -1.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -1.5133 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 -0.5800 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0459 -1.5346 2.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0716 -3.2750 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5867 -1.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3763 3.2932 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 -1.7074 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7359 -1.9519 1.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 3.4900 -0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 -2.3612 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -4.7351 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 10 2 0 0 0 0 1 24 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 25 2 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 27 2 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 20 1 0 0 0 0 13 27 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 19 2 0 0 0 0 15 21 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 22 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 20 2 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 27 1 0 0 0 0 M END > DB12393 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WZMQMKNCWDCCMT-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)CN1C(=O)C(=O)NC2=C1C=C(N1CCOCC1)C(=C2)C(F)(F)F > InChI=1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25) > WZMQMKNCWDCCMT-UHFFFAOYSA-N > C14H15F3N3O6P > 409.2544 > 409.065056354 > 7 > 42 > -1.1462788751712354 > 33.20920775105796 > 1 > 3 > 0 > 1 > {[7-(morpholin-4-yl)-2,3-dioxo-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-1-yl]methyl}phosphonic acid > 0.83 > 0.21720628599999964 > -2.15 > 0 > -1 > 3 > -1 > 8.067267441423436 > 1.5436641279519872 > -3.0056962768989046 > 119.41000000000001 > 88.1046 > 4 > 1 > 2.89e+00 g/l > tetrahydrofolic acid > 0 $$$$