8642 -OEChem-12241908553D 33 34 0 1 0 0 0 0 0999 V2000 -3.5530 -1.5375 0.1561 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1176 -2.9953 -0.3165 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 1.3292 1.0212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9313 4.1464 -0.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 -0.2053 0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6075 1.7527 0.3918 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5464 -2.2312 -0.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7301 -0.9468 -0.7823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 -2.4235 1.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -2.8118 -0.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 0.5663 0.1977 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7173 -0.5192 0.0713 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 2.8637 -0.6917 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5832 1.8527 0.3011 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3586 2.3331 -0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 1.7144 0.3497 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2888 0.6845 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0128 0.6844 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 -0.6749 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -1.7983 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -1.7837 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 2.9734 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2454 2.3165 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3059 1.5733 -1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 3.0981 -1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2557 2.4613 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 0.1523 -1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 1.0629 -0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5189 4.7477 -0.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0683 -0.7397 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 -0.4564 0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -3.1055 -1.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4169 -1.5583 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 6 18 2 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 10 21 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB03761 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HFEKDTCAMMOLQP-RRKCRQDMSA-N/SDF?record_type=3d > O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(F)C(=O)NC1=O > InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 > HFEKDTCAMMOLQP-RRKCRQDMSA-N > C9H12FN2O8P > 326.1723 > 326.031530087 > 7 > 33 > -0.05469278308911219 > 25.896621377951085 > 1 > 4 > 0 > 0 > {[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid > -1.4387271999999998 > 0 > -2 > 2 > -2 > 6.252051520003301 > 1.23275738342837 > -3.240345012642312 > 145.63000000000002 > 62.1307 > 4 > 1 > [(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid > 0 $$$$