4781 -OEChem-10051719233D 43 45 0 0 0 0 0 0 0999 V2000 0.4591 -3.0951 0.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0818 0.8807 2.1247 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 -0.8608 0.2923 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 0.3512 0.7852 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -1.3669 1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -1.5889 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.9201 0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3514 0.1041 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 -0.8724 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -1.0704 -1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7422 -1.0710 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1218 1.6419 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6091 -0.3314 -2.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1592 -2.2241 -0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 2.7923 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6863 -0.1248 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8627 1.7594 -0.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5135 -2.4299 -0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 4.0530 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0406 -0.3308 0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1628 3.0203 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4542 -1.4833 -0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 4.1670 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 -1.8441 2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -2.6622 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7953 -1.2204 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 -1.2460 -1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 0.2036 -0.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6736 -2.1384 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2674 -0.7088 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4647 0.7450 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8644 -0.6897 -3.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 -0.4882 -3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -2.9677 -1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 2.7654 1.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4314 0.7469 1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 0.9058 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8354 -3.3220 -1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 4.9467 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7755 0.3972 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 3.1097 -2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5089 -1.6443 -0.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 5.1487 -1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 12 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 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 10 30 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 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 21 2 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 M END > DB00812 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VYMDGNCVAMGZFE-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC1C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3 > VYMDGNCVAMGZFE-UHFFFAOYSA-N > C19H20N2O2 > 308.3743 > 308.152477894 > 2 > 43 > -0.9901930798866118 > 34.10797528450329 > 1 > 0 > 0 > 1 > 4-butyl-1,2-diphenylpyrazolidine-3,5-dione > 2.81 > 4.135797765666666 > -3.33 > 0 > -1 > 3 > -1 > 4.9958127507026555 > 40.620000000000005 > 88.75830000000003 > 5 > 1 > 1.44e-01 g/l > tetrahydrofolic acid > 0 $$$$