4369172 -OEChem-10051720123D 48 51 0 0 0 0 0 0 0999 V2000 -0.7423 -1.5866 -0.4171 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 -1.1450 -0.5981 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 0.3626 -0.1373 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 3.3184 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4961 -1.3999 -1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0157 -2.8917 0.1501 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -1.0145 -0.2568 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6213 1.2097 0.9545 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5276 -1.5680 -2.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 1.5627 0.5453 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 -0.7977 0.5037 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4947 1.1595 -1.6213 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 1.2936 1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2844 0.5592 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 2.3871 -0.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6499 2.2280 1.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 -0.6344 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 0.5662 0.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9442 1.1250 1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 2.6643 -1.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 2.5100 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.3463 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.1028 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4148 0.2672 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5247 -1.1891 -0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3394 -2.0377 1.4861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8102 -1.7220 -0.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6249 -2.5707 1.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3603 -2.4128 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 0.6908 2.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 2.2330 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 3.3399 -0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0884 1.8868 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1061 1.5896 1.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3549 3.1725 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0254 2.1266 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3246 1.7438 -2.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 3.3283 -2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5294 3.0590 0.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0726 1.5827 -0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 2.0447 1.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 -0.6487 -1.6122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -2.1675 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0532 -3.1086 2.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3613 -2.8300 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 2.1585 -1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2478 0.6534 -2.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 -1.0601 -2.6478 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 11 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 24 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 9 27 1 0 0 0 0 9 48 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 21 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 23 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 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END > DB03262 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PZLYYZPXSSNGJS-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC2=C(S1)S(=O)(=O)N(C(CN1CCOCC1)=C2)C1=CC(O)=CC=C1 > InChI=1S/C17H19N3O6S3/c18-28(22,23)16-9-12-8-14(11-19-4-6-26-7-5-19)20(29(24,25)17(12)27-16)13-2-1-3-15(21)10-13/h1-3,8-10,21H,4-7,11H2,(H2,18,22,23) > PZLYYZPXSSNGJS-UHFFFAOYSA-N > C17H19N3O6S3 > 457.544 > 457.043597425 > 7 > 48 > -0.07200428394016992 > 44.36603743546621 > 1 > 2 > 0 > 1 > 2-(3-hydroxyphenyl)-3-[(morpholin-4-yl)methyl]-1,1-dioxo-2H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide > 0.96 > 1.0215628873333333 > -3.50 > 0 > 0 > 4 > 0 > 9.400477260298313 > 8.116445149010724 > 4.51323414821574 > 130.24 > 108.91810000000001 > 4 > 1 > 1.46e-01 g/l > biotin > 0 $$$$