25147495 -OEChem-10051721253D 42 44 0 1 0 0 0 0 0999 V2000 0.1871 -0.8949 -1.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -3.2114 0.0997 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 -2.3330 0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9668 1.9714 0.2605 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3188 0.4877 0.1393 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -0.6047 -0.1331 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1427 -0.1814 0.2892 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -0.9544 -0.7408 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4835 -1.8478 0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9771 0.4676 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 -1.6379 1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -1.4608 -0.2849 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3557 0.3393 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 1.7513 0.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 0.7739 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1369 1.6989 0.9621 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 0.7643 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 -1.1313 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6535 1.6704 -0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 1.1922 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 3.1403 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1554 -1.3860 -1.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2446 -1.6451 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 0.8941 0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 1.1083 -1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3087 -2.4722 1.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0368 -0.7330 1.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0283 -2.4368 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1822 0.9995 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -0.6895 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 1.8365 1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 2.6147 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3171 1.2799 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -0.0904 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 1.2815 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5834 2.6953 0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5162 -3.3172 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 1.1174 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0690 -0.5377 0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 3.5187 -1.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 3.3816 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7151 3.6771 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 37 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M END > DB08661 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUSBTLVYPZUOAW-WOPDTQHZSA-N/SDF?record_type=3d > [H][C@@]1(O)C[C@]([H])(O[C@@]1([H])CN1CCCC1)N1C=C(C)C(=O)NC1=O > InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1 > XUSBTLVYPZUOAW-WOPDTQHZSA-N > C14H21N3O4 > 295.3342 > 295.153206175 > 5 > 42 > 0.9824043406971177 > 30.162803616012 > 1 > 2 > 0 > 1 > 1-[(2S,4R,5S)-4-hydroxy-5-[(pyrrolidin-1-yl)methyl]oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione > -0.40 > -0.26312599181953433 > -0.87 > 0 > 1 > 3 > 1 > 14.04163237691382 > 9.989620383898817 > 8.775259601670722 > 82.11000000000001 > 74.67979999999999 > 3 > 1 > 3.99e+01 g/l > biotin > 0 $$$$