160024 -OEChem-11061915393D 30 32 0 1 0 0 0 0 0999 V2000 -3.9512 2.1312 0.0801 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5136 1.5808 -0.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0102 -1.3565 2.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -3.7932 -1.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9617 1.4224 -0.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 -1.7408 -1.1362 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 -2.8455 0.7778 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2538 -0.6627 0.2464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -0.8830 -0.1729 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4144 -0.8344 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6835 0.5024 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0619 0.3245 0.2548 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3362 -1.6914 1.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1434 1.6373 -0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -2.9026 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 0.6906 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5071 0.4365 -0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4084 2.9219 -0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 1.9736 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 3.0887 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -0.6849 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 -1.7922 -0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.2210 1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8337 -1.5227 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2831 -3.5552 1.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -0.1625 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 3.7975 -0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2167 4.0866 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2467 -0.7036 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8623 -1.4539 0.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 13 2 0 0 0 0 4 15 2 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 25 1 0 0 0 0 8 17 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 23 1 0 0 0 0 14 18 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 18 20 2 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 20 28 1 0 0 0 0 M END > DB02021 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WAAPEIZFCHNLKK-UFBFGSQYSA-N/SDF?record_type=3d > NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)C2=C(O1)C=CC(F)=C2 > InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1 > WAAPEIZFCHNLKK-UFBFGSQYSA-N > C12H10FN3O4 > 279.2239 > 279.065534028 > 4 > 30 > 24.501076078895938 > 1 > 3 > 0 > 0 > (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide > 0.08 > -0.681370682666667 > -2.02 > 0 > 3 > 0 > 14.6053774846628 > 8.673463279784094 > -4.906567185078478 > 110.52000000000001 > 62.596800000000016 > 1 > 1 > 2.66e+00 g/l > 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium > 0 $$$$