38258 -OEChem-06161819223D 43 44 0 1 0 0 0 0 0999 V2000 2.2684 1.7982 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 -1.9084 -1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -1.2304 -0.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 2.9661 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6235 2.0128 0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8354 1.7465 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -1.4707 -1.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -1.4325 -1.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 0.1963 0.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 1.1964 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -0.6914 0.5273 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -0.6150 0.5737 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 2.2704 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1582 -0.2206 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.9633 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -1.9325 1.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.0067 -0.3918 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8336 0.1037 -0.3357 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3925 1.4485 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -0.8153 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 1.5477 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 0.9969 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -0.9187 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9175 2.3720 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.3832 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 -1.3357 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -2.7444 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -0.4588 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 0.4494 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -0.6465 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -0.6185 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 3.2825 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 -0.6296 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -1.7894 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -0.6315 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 2.0743 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 3.0938 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -3.4900 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -3.2496 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -1.8088 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -1.7672 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -1.3678 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 3.0860 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 32 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 33 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END > DB14075 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZCTXEAQXZGPWFG-UHFFFAOYSA-N/SDF?record_type=3d > OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O > InChI=1S/C11H16N8O8/c20-2-18-4(6(22)16-10(18)26)14-8(24)12-1-13-9(25)15-5-7(23)17-11(27)19(5)3-21/h4-5,20-21H,1-3H2,(H2,12,14,24)(H2,13,15,25)(H,16,22,26)(H,17,23,27) > ZCTXEAQXZGPWFG-UHFFFAOYSA-N > C11H16N8O8 > 388.297 > 388.109109507 > 8 > 43 > 33.550726997993124 > 0 > 8 > 0 > 0 > 3-[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]-1-[({[3-(hydroxymethyl)-2,5-dioxoimidazolidin-4-yl]carbamoyl}amino)methyl]urea > -2.43 > -5.0478036416666665 > -2.71 > 0 > 2 > 0 > 8.153352234474008 > 7.551361471678783 > -3.2595200421329977 > 221.53999999999996 > 78.67589999999998 > 6 > 0 > 7.58e-01 g/l > imidazolidinyl urea > 0 $$$$