6473 -OEChem-10051719343D 31 31 0 0 0 0 0 0 0999 V2000 -0.0939 -1.1632 -2.1335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 1.2856 1.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 -1.5640 0.8017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7027 -1.2869 -0.7123 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7377 -0.0641 1.2891 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 0.5572 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.7114 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 1.7373 -1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 -0.4578 0.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 -0.7143 -1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 0.6221 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6326 -0.2856 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4411 3.0486 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3659 -0.9983 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3432 -1.4279 0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7541 0.7762 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 1.6255 -0.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 1.7721 -2.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8621 1.6177 -1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8612 -1.4087 -0.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8035 -0.5414 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 -0.2398 -0.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9159 0.6601 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6263 3.2759 -0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8594 3.1350 0.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9004 3.8603 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 -2.0531 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1396 0.0712 2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0501 -1.4798 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1079 -2.3881 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4275 -1.2850 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 14 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END > DB01353 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/STDBAQMTJLUMFW-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC1(CC)C(=O)NC(=O)NC1=O > InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15) > STDBAQMTJLUMFW-UHFFFAOYSA-N > C10H16N2O3 > 212.2456 > 212.116092388 > 3 > 31 > -0.2468608879026895 > 21.615960524107198 > 1 > 2 > 0 > 1 > 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione > 1.65 > 1.606232150333333 > -2.22 > 0 > 0 > 1 > 0 > 11.154863311944386 > 7.4847499889101625 > 75.27 > 53.45429999999999 > 4 > 1 > 1.27e+00 g/l > biotin > 0 $$$$