3824 -OEChem-10051721593D 42 44 0 0 0 0 0 0 0999 V2000 0.6040 -2.9679 0.2567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6532 1.2019 2.1976 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3311 -1.0033 -0.5648 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -0.8527 0.3198 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1183 0.4233 0.8104 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5318 -1.0904 1.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9247 -1.1471 0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 -1.7883 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 0.3330 1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -0.4353 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.2386 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5689 1.6591 0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 -0.4492 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -2.4423 -0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 2.8628 0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 -0.4143 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 1.6693 -0.9472 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5286 0.2625 -2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3849 -2.8198 -0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7381 4.0699 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 -0.7919 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 2.8767 -1.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 -1.9946 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 4.0769 -0.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -1.5600 2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2399 -2.1911 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6418 -0.6814 1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3117 -0.9142 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 0.6172 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2864 -3.0973 -0.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2044 2.9137 1.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.4891 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4474 0.7789 -1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2776 1.3189 -2.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8737 -0.1980 -3.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5638 0.1824 -2.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -3.7511 -1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 5.0041 0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0349 -0.1585 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2585 2.8846 -2.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4684 -2.2893 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 5.0170 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 30 1 0 0 0 0 15 20 1 0 0 0 0 15 31 1 0 0 0 0 16 21 2 0 0 0 0 16 32 1 0 0 0 0 17 22 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 20 24 2 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END > DB08940 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LGYTZKPVOAIUKX-UHFFFAOYSA-N/SDF?record_type=3d > CC(=O)CCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C19H18N2O3/c1-14(22)12-13-17-18(23)20(15-8-4-2-5-9-15)21(19(17)24)16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3 > LGYTZKPVOAIUKX-UHFFFAOYSA-N > C19H18N2O3 > 322.3578 > 322.131742452 > 3 > 42 > -0.9963103503606866 > 33.64442141286797 > 1 > 0 > 0 > 1 > 4-(3-oxobutyl)-1,2-diphenylpyrazolidine-3,5-dione > 1.99 > 2.700612858333333 > -3.45 > 0 > -1 > 3 > -1 > 19.733160862650944 > 4.5685904864336155 > -7.271719184487527 > 57.690000000000005 > 89.37379999999999 > 5 > 1 > 1.13e-01 g/l > tetrahydrofolic acid > 0 $$$$