33624 -OEChem-10051719133D 45 46 0 1 0 0 0 0 0999 V2000 2.5419 -3.1441 -1.1465 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 3.2229 0.3632 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 -1.0084 0.6462 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 -0.5842 2.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2635 -0.4536 -0.1728 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 0.5088 -0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 -1.6016 -1.1928 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1295 -2.8432 -0.2921 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 0.6731 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 0.0174 1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 -1.1321 1.8146 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3762 1.4568 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 1.1281 -0.2147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7152 1.6249 -1.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8285 1.4045 -0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 0.1256 -2.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 2.6133 0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7135 2.2881 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 -1.9077 1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3157 -0.8457 -0.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1892 -1.5428 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 -0.9584 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 0.7289 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2517 0.5231 1.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -1.8283 2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 1.8426 -1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3815 1.0057 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 1.4887 -1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 0.4071 0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 1.0883 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0961 2.3513 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 2.2188 -0.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3472 2.0142 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5238 0.7095 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4393 2.1005 -0.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3636 -0.5692 -1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 0.9340 -2.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8764 -0.4104 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6915 3.3777 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.2765 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4942 1.9400 1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6732 2.8137 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -2.6689 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3371 -2.4005 0.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 -0.1526 3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 21 1 0 0 0 0 4 11 1 0 0 0 0 4 45 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 8 21 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 19 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 18 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 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 M END > DB00373 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BLJRIMJGRPQVNF-JTQLQIEISA-N/SDF?record_type=3d > [H][C@](O)(CNC(C)(C)C)COC1=NSN=C1N1CCOCC1 > InChI=1S/C13H24N4O3S/c1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17/h10,14,18H,4-9H2,1-3H3/t10-/m0/s1 > BLJRIMJGRPQVNF-JTQLQIEISA-N > C13H24N4O3S > 316.42 > 316.156911344 > 7 > 45 > 0.9982630762918143 > 33.85756109164853 > 1 > 2 > 0 > 1 > (2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol > 1.44 > 1.335705945666666 > -3.07 > 0 > 1 > 2 > 1 > 14.08420285779267 > 9.759473013004843 > 79.74000000000001 > 83.91999999999999 > 7 > 1 > 2.69e-01 g/l > tetrahydrofolic acid > 0 $$$$