5323 -OEChem-10051721273D 35 36 0 0 0 0 0 0 0999 V2000 -1.2704 -2.2101 -0.5464 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2402 -2.8688 -1.4135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7741 -2.9255 0.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1346 2.6207 -1.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3896 -0.7487 1.6176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0584 -1.7026 -1.5186 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7389 -1.2220 0.0647 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6388 2.9439 1.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 0.9498 0.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9667 -0.6973 -0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9601 -0.0850 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 -0.1004 1.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -0.7641 -0.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 1.7211 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 1.1241 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0844 1.1088 1.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 0.5091 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9907 1.3341 -0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 -0.3224 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1014 3.4258 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2053 -2.0906 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -1.5271 -2.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -0.5273 -1.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -0.5582 1.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2878 1.5925 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7339 1.5644 2.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.8477 -2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3596 3.3883 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3218 3.3765 2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 4.4144 -1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1064 3.0054 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 3.5524 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4461 -2.7963 1.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1858 -2.2508 2.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8937 -2.2778 2.8745 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 6 1 0 0 0 0 1 10 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 7 13 1 0 0 0 0 7 19 2 0 0 0 0 8 14 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 20 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > DB06150 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZZORFUFYDOWNEF-UHFFFAOYSA-N/SDF?record_type=3d > COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1 > InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16) > ZZORFUFYDOWNEF-UHFFFAOYSA-N > C12H14N4O4S > 310.329 > 310.073575646 > 7 > 35 > -0.5543205638852353 > 29.59705034803728 > 1 > 2 > 0 > 1 > 4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzene-1-sulfonamide > 1.08 > 1.2608333366666664 > -3.05 > 0 > -1 > 2 > -1 > 6.905270667395395 > 1.9946365994922286 > 116.43 > 77.75430000000003 > 4 > 1 > 2.78e-01 g/l > tetrahydrofolic acid > 0 $$$$