5288615 -OEChem-10051721123D 48 49 0 1 0 0 0 0 0999 V2000 -3.5814 -2.4587 -1.2261 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9797 1.2627 0.5439 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1616 1.4149 1.9707 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2554 2.3533 -0.3655 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 0.6099 -1.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4705 2.6079 -0.0411 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 -0.5334 -0.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 -0.1272 0.0182 N 0 0 1 0 0 0 0 0 0 0 0 0 -4.6416 1.6702 0.5895 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -1.7378 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2399 -0.2703 0.5136 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6181 -0.5202 -1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 -2.0058 -1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -2.6053 1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 -1.8376 0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1048 0.7075 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 0.7249 0.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4839 1.4376 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1461 -0.4012 0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 1.0127 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -0.8261 0.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2799 -0.1192 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5212 0.4704 -0.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8345 0.0722 -0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9137 -0.2528 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2274 -0.6487 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 0.0051 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -0.3505 -1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 0.0871 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 -2.2767 -2.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -2.6040 -0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8367 -2.5829 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0427 -2.2496 2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 -3.6529 1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8695 -1.3106 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5461 -2.8803 0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3692 -1.4011 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 1.7214 1.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 2.3186 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.9594 1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 1.5743 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8294 -1.7083 1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 2.7300 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5590 0.5934 -1.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2732 1.4346 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 0.1862 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6368 -1.4765 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1620 -0.9720 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 5 16 2 0 0 0 0 6 9 1 0 0 0 0 6 43 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 16 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 3 0 0 0 0 25 26 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > DB07964 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CVZIHNYAZLXRRS-HNNXBMFYSA-N/SDF?record_type=3d > [H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CC)C=C1)C(=O)NO > InChI=1S/C17H22N2O5S2/c1-4-5-11-24-13-6-8-14(9-7-13)26(22,23)19-10-12-25-17(2,3)15(19)16(20)18-21/h6-9,15,21H,10-12H2,1-3H3,(H,18,20)/t15-/m0/s1 > CVZIHNYAZLXRRS-HNNXBMFYSA-N > C17H22N2O5S2 > 398.497 > 398.097013204 > 5 > 48 > -0.019583318929062406 > 40.54777163280419 > 1 > 2 > 0 > 1 > (3S)-4-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide > 2.18 > 1.8199478363333328 > -4.38 > 0 > 0 > 2 > 0 > 16.72637609746245 > 8.699524399297827 > -4.925871599701735 > 95.94000000000001 > 101.33169999999998 > 5 > 1 > 1.68e-02 g/l > biotin > 0 $$$$