66377 -OEChem-04201810473D 34 35 0 1 0 0 0 0 0999 V2000 1.7099 0.2976 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 -1.2388 0.0163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0643 3.0208 0.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 -3.0846 0.5032 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1895 -0.3439 -0.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 -0.8102 0.1762 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.7064 0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -0.9083 0.3631 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2827 -0.3697 -0.6719 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9824 -1.0906 -0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.7701 0.2445 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4497 2.0229 -0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7385 0.4369 -0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0203 -1.9489 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 0.6655 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9813 -0.4857 -0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6116 2.0169 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9924 2.7564 0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4548 -1.7329 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 -0.0281 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 -0.6043 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1009 -2.1494 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6287 1.0147 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 1.8506 -1.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3013 2.4068 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0685 1.2798 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 -1.9817 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -2.5120 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8762 2.6181 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4813 1.9391 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8201 3.8109 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 3.7439 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 2.9016 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7564 2.2114 1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 14 2 0 0 0 0 5 16 2 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 2 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > DB13421 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XACKNLSZYYIACO-DJLDLDEBSA-N/SDF?record_type=3d > CCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O > InChI=1S/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8+,9+/m0/s1 > XACKNLSZYYIACO-DJLDLDEBSA-N > C11H16N2O5 > 256.258 > 256.105921623 > 5 > 34 > 24.928746922959377 > 1 > 3 > 0 > 0 > 5-ethyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione > -0.73 > -0.674484924333333 > -0.62 > 0 > 2 > 0 > 13.90792197358829 > 9.953265333434105 > -2.9780835894497937 > 99.1 > 60.01299999999999 > 3 > 1 > 6.14e+01 g/l > 5-ethyl-2'-deoxyuridine > 0 $$$$