4369102 -OEChem-02092015243D 41 42 0 1 0 0 0 0 0999 V2000 0.7571 1.7647 0.3286 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 1.3991 -0.3325 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.6291 -0.0956 -0.5402 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 2.6212 1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9904 2.2916 -0.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 0.9930 -1.2853 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7902 0.9661 -1.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 -1.4781 -0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 0.6032 0.7237 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9796 -2.1511 -0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 0.3385 0.8491 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4436 -1.3646 1.0758 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5478 -0.4683 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7456 -0.5901 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6671 0.7399 0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3212 1.1517 1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -1.0768 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9241 -0.1026 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -2.9175 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 0.6246 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -3.7642 -0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 0.5154 -2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 -2.0466 1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1379 0.0397 2.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4031 -1.0284 2.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 0.9056 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2941 2.2457 0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2626 -2.7884 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3930 -2.0911 0.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -2.2820 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8892 -3.5735 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3991 -0.4666 0.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 1.0516 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5613 -4.3295 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -4.4816 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9873 -3.1399 -1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -0.3411 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4424 1.3068 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8847 -0.5778 -2.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 0.9396 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 0.8297 -3.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 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 6 20 1 0 0 0 0 6 22 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 28 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 20 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 19 21 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END > DB03877 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XACIEZJJSXJZMD-VIFPVBQESA-N/SDF?record_type=3d > CCN[C@H]1CN(CCOC)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O > InChI=1S/C11H19N3O5S3/c1-3-13-9-7-14(4-5-19-2)22(17,18)11-8(9)6-10(20-11)21(12,15)16/h6,9,13H,3-5,7H2,1-2H3,(H2,12,15,16)/t9-/m0/s1 > XACIEZJJSXJZMD-VIFPVBQESA-N > C11H19N3O5S3 > 369.481 > 369.048682803 > 6 > 41 > 0.17608648368439264 > 36.52769435066688 > 1 > 2 > 0 > 0 > (4R)-4-(ethylamino)-2-(2-methoxyethyl)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide > -0.80 > -0.6444244169799264 > -2.53 > 0 > 0 > 2 > 0 > 8.184228444543672 > 6.496797618970351 > 118.80000000000001 > 82.33409999999999 > 6 > 1 > 1.10e+00 g/l > mozenavir > 0 $$$$