4060 -OEChem-10051719173D 30 31 0 1 0 0 0 0 0999 V2000 0.9049 0.1455 -2.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0337 -0.8952 1.6832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 0.2277 1.2068 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -0.5168 -0.4970 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2861 0.6562 0.0439 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3596 2.1846 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 0.0727 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 0.0422 0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2243 -0.4479 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 2.8626 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3667 -1.1045 0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1253 0.6251 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -1.1637 -1.2428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -1.6672 0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 0.0624 -0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -1.0836 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0707 2.5450 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4078 2.5144 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 0.3996 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 2.6151 1.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1353 2.6080 2.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2605 3.9499 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 -1.5990 1.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 1.5061 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4974 -0.6400 -2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 -2.1897 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 -1.1839 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8442 -2.5619 1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 0.5139 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6539 -1.5228 0.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 M END > DB00532 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GMHKMTDVRCWUDX-UHFFFAOYSA-N/SDF?record_type=3d > CCC1(NC(=O)N(C)C1=O)C1=CC=CC=C1 > InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16) > GMHKMTDVRCWUDX-UHFFFAOYSA-N > C12H14N2O2 > 218.2518 > 218.105527702 > 2 > 30 > -8.044044937677303e-05 > 22.668641113248228 > 1 > 1 > 0 > 1 > 5-ethyl-3-methyl-5-phenylimidazolidine-2,4-dione > 1.64 > 1.6651732839999998 > -2.35 > 0 > 0 > 2 > 0 > 11.094490575654449 > -8.139137354400296 > 49.410000000000004 > 59.53800000000001 > 2 > 1 > 9.70e-01 g/l > tetrahydrofolic acid > 0 $$$$