444612 -OEChem-10051719453D 38 40 0 1 0 0 0 0 0999 V2000 0.0794 0.9843 -0.0237 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 1.3239 -0.2409 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 0.4232 -0.2126 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -2.8107 -0.7685 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1833 1.7068 1.2281 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 1.6352 -1.3082 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 1.6248 -1.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3095 -0.8028 -0.6517 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5452 0.5141 0.2075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0432 -0.4604 0.0360 N 0 0 2 0 0 0 0 0 0 0 0 0 -6.2595 0.8327 1.3422 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -2.0800 0.4331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5134 -1.5356 0.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8734 -1.0122 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 0.3065 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2911 -1.1827 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -0.2092 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9547 0.0046 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 0.1955 1.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2334 -0.3729 -1.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4324 0.4391 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -0.1294 -1.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2057 0.2766 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 0.3286 -1.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -2.7964 1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4018 -1.1259 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2438 -2.3532 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7981 -2.1288 0.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0361 -3.5287 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4738 0.3253 2.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7726 -0.6885 -2.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8940 0.7547 2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1467 -0.2750 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3266 0.0677 2.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9041 1.7025 1.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3240 0.5613 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 1.0254 -1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 -0.7137 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 12 1 0 0 0 0 4 29 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 20 22 2 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 22 33 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END > DB01964 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZWTSOJQGEWPWGO-NSHDSACASA-N/SDF?record_type=3d > [H][C@]1(O)CN(C2=CC=C(OC)C=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O > InChI=1S/C13H14N2O6S3/c1-21-9-4-2-8(3-5-9)15-7-11(16)10-6-12(23(14,17)18)22-13(10)24(15,19)20/h2-6,11,16H,7H2,1H3,(H2,14,17,18)/t11-/m0/s1 > ZWTSOJQGEWPWGO-NSHDSACASA-N > C13H14N2O6S3 > 390.455 > 390.00139826 > 6 > 38 > -0.0671498635746285 > 36.823172307923535 > 1 > 2 > 0 > 1 > (4R)-4-hydroxy-2-(4-methoxyphenyl)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide > 0.49 > 0.3662729253333336 > -2.88 > 0 > 0 > 3 > 0 > 13.223095026049052 > 8.142770892536586 > -3.6245498277722965 > 127.0 > 86.35069999999999 > 3 > 1 > 5.19e-01 g/l > tetrahydrofolic acid > 0 $$$$