398148 -OEChem-10051721183D 35 36 0 0 0 0 0 0 0999 V2000 0.2193 -0.2197 0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5587 -2.8569 -0.4938 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3646 1.4015 -0.0864 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7079 0.8455 -0.1719 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7613 -2.1821 0.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4322 -1.3779 0.1699 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9796 3.0502 -0.5097 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5574 0.2617 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8622 -0.8202 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 1.3767 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -1.3710 -0.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0254 0.8223 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3215 -0.2590 -0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 0.8343 0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 0.1028 0.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 -0.8704 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 -0.4367 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6687 1.6990 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 -0.2157 1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 -0.4073 -1.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -1.6509 -0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4200 2.1039 1.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 1.9212 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 -2.0934 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3557 -1.9142 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 0.4064 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 1.6359 0.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 -0.6807 -0.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.1895 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 1.2975 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 1.5953 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3687 -1.0147 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2578 -2.3326 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 3.3229 -0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 3.7288 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 5 2 0 0 0 0 3 15 2 0 0 0 0 3 18 1 0 0 0 0 4 17 1 0 0 0 0 4 18 2 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 18 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 M END > DB08312 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DGWXOLHKVGDQLN-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(N)=C(N=O)C(OCC2CCCCC2)=N1 > InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) > DGWXOLHKVGDQLN-UHFFFAOYSA-N > C11H17N5O2 > 251.285 > 251.138224813 > 6 > 35 > 0.113434693536549 > 26.11744651998403 > 1 > 2 > 0 > 1 > 6-(cyclohexylmethoxy)-5-nitrosopyrimidine-2,4-diamine > 2.15 > 2.9439046963333335 > -2.73 > 0 > 0 > 2 > 0 > 16.836111498603923 > 15.253906937772324 > 6.107035256315932 > 116.48 > 70.4777 > 4 > 1 > 4.71e-01 g/l > biotin > 0 $$$$