5284636 -OEChem-01272016183D 32 32 0 0 0 0 0 0 0999 V2000 0.0082 -0.9171 2.1788 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 1.6468 -1.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -1.2968 -0.4853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8435 -1.0844 0.8238 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 0.1681 -1.1436 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 0.4381 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3303 1.7199 0.9492 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 -0.2101 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -0.5678 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 0.8196 -1.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 2.3362 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4243 0.3696 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 -1.5137 -1.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 -0.7742 -0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7537 -0.1120 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4336 -1.0223 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0272 1.5268 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7731 2.4849 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3705 1.6784 2.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6569 2.6007 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6312 3.2602 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 1.3050 0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -1.3864 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 -2.2650 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9009 -1.9532 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 -1.7674 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6394 0.4110 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 -0.6315 -1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3927 0.7565 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4111 -1.3403 -0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8374 -1.9208 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 -0.5076 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 14 2 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 27 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 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END > DB13377 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RAFOHKSPUDGZPR-VOTSOKGWSA-N/SDF?record_type=3d > CC\C=C(/C)C1(CC)C(=O)NC(=O)NC1=O > InChI=1S/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+ > RAFOHKSPUDGZPR-VOTSOKGWSA-N > C11H16N2O3 > 224.26 > 224.116092383 > 3 > 32 > -0.4203106825050511 > 22.77354264134165 > 1 > 2 > 0 > 1 > 5-ethyl-5-[(2E)-pent-2-en-2-yl]-1,3-diazinane-2,4,6-trione > 1.97 > 1.4876717653333333 > -2.58 > 0 > 0 > 1 > -1 > 10.806427296588929 > 7.140181452393236 > 75.27 > 58.85289999999999 > 3 > 1 > 5.93e-01 g/l > prinomastat > 0 $$$$