132302 -OEChem-10051720363D 39 40 0 0 0 0 0 0 0999 V2000 -3.8476 -0.4561 0.1183 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0933 -0.9298 1.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4234 -1.1539 -1.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 2.4562 0.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1526 -0.3699 -0.1147 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 -0.5421 0.0254 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2751 1.2154 0.0241 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7646 0.5892 -0.2758 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8362 -0.6075 0.0134 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 0.4358 0.8945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -1.6733 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.7147 0.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 -1.4242 -0.8867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0743 -0.5516 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 1.9239 -1.2426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6046 1.6043 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 -1.7437 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1076 0.4916 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -1.7119 0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 1.7329 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 1.3920 1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -0.1149 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4416 -2.2514 0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 -2.2514 -1.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 1.3694 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5547 1.2416 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 -2.3921 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -0.9547 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0278 3.0053 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6575 1.6304 -2.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 1.7098 -1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4018 1.2328 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6774 2.6941 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7373 1.2039 1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2078 -2.6569 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6971 -2.5996 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 1.4962 -1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 2.3746 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2963 2.4815 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 14 2 0 0 0 0 8 18 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 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 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 M END > DB04478 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XDTHNROWHAAVPJ-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)S(=O)(=O)N1CCN(CC1)C1=CC=NC(CO)=N1 > InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3 > XDTHNROWHAAVPJ-UHFFFAOYSA-N > C11H19N5O3S > 301.365 > 301.120860189 > 7 > 39 > 0.061572362813281996 > 30.971288936822408 > 1 > 1 > 0 > 0 > 4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide > -0.66 > -0.6918334213333334 > -1.54 > 0 > 0 > 2 > 0 > 13.546142178675417 > 4.817830686341883 > 89.87 > 76.28139999999999 > 2 > 1 > 8.78e+00 g/l > tetrahydrofolic acid > 0 $$$$