11242315 -OEChem-12152013143D 30 31 0 1 0 0 0 0 0999 V2000 0.8190 -1.2665 -1.8309 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 2.5102 1.1196 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4108 1.6012 0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 -2.2090 0.6382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 1.7471 -1.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 0.2468 -0.1026 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3576 0.3316 -0.4385 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7747 -1.1203 0.6981 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 0.7042 -0.3633 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1045 1.1069 0.9225 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5502 0.6051 0.7524 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3994 -0.4888 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -0.4218 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -1.4590 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1547 -0.7892 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 0.8234 -0.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -1.2753 1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5148 -0.6464 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3634 1.5205 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 0.6534 1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9483 0.2529 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4013 -0.9365 -0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 -2.1604 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6315 2.7143 1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3124 1.2369 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2782 -1.2284 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5081 -2.0881 1.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -2.6865 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -1.8779 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5936 -0.7209 0.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 18 2 0 0 0 0 8 18 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 13 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 M END > DB16168 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QLLGKCJUPWYJON-HLTSFMKQSA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@H]1[C@H](O)[C@H](O)C(CO)=C1F > InChI=1S/C10H12FN3O4/c11-6-4(3-15)8(16)9(17)7(6)14-2-1-5(12)13-10(14)18/h1-2,7-9,15-17H,3H2,(H2,12,13,18)/t7-,8-,9+/m1/s1 > QLLGKCJUPWYJON-HLTSFMKQSA-N > C10H12FN3O4 > 257.221 > 257.081184041 > 6 > 30 > 0.0014275076783261701 > 23.05405618515977 > 1 > 4 > 0 > 0 > 4-amino-1-[(1S,4R,5S)-2-fluoro-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,2-dihydropyrimidin-2-one > -1.63 > -3.121091686999999 > -1.88 > 0 > 0 > 2 > 0 > 14.356278453269905 > 13.036051145372463 > 4.155494689880411 > 119.38000000000001 > 58.9745 > 2 > 1 > 3.41e+00 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 $$$$