6102708 -OEChem-10051720563D 50 51 0 1 0 0 0 0 0999 V2000 -3.2358 -2.8827 -1.0819 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 1.6229 -0.1650 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 2.0508 1.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9268 2.3817 -1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 -0.2330 -1.0466 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2687 1.4116 0.6515 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 0.9973 0.1437 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 -0.0103 -0.4136 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.0314 0.8500 0.9945 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9459 -0.8055 -1.0413 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 -2.0870 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 -0.5435 0.4845 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1656 -0.4477 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -1.9465 -1.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -2.5535 1.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2987 -2.6132 1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4654 0.0343 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 1.4358 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 1.2043 1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 1.5232 -1.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 1.0566 1.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2715 1.3754 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8839 1.1421 0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 0.1569 1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9839 -0.4786 0.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0024 -1.0002 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2446 -1.6411 -0.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9312 -0.1920 1.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3492 0.0199 -2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0829 -0.1192 -2.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9834 -2.2384 -3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 -2.2375 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -2.2095 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7534 -2.1631 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7626 -3.6466 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2681 -2.3920 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 -3.6992 1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3004 -2.1576 2.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6913 1.0182 1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1416 1.1327 2.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4309 1.7041 -2.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5503 0.9040 2.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8685 1.4425 -2.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7202 1.3769 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 0.7660 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 -0.6459 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8979 -1.8146 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 -2.6160 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 -0.7166 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8089 -1.2691 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 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 18 1 0 0 0 0 5 17 2 0 0 0 0 6 9 1 0 0 0 0 6 44 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 17 1 0 0 0 0 9 39 1 0 0 0 0 10 27 1 0 0 0 0 10 49 1 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 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 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 3 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > DB07121 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AANXPIMDONQTQF-HNNXBMFYSA-N/SDF?record_type=3d > [H][C@]1(N(CCSC1(C)C)S(=O)(=O)C1=CC=C(OCC#CCN)C=C1)C(=O)NO > InChI=1S/C17H23N3O5S2/c1-17(2)15(16(21)19-22)20(10-12-26-17)27(23,24)14-7-5-13(6-8-14)25-11-4-3-9-18/h5-8,15,22H,9-12,18H2,1-2H3,(H,19,21)/t15-/m0/s1 > AANXPIMDONQTQF-HNNXBMFYSA-N > C17H23N3O5S2 > 413.512 > 413.107912241 > 6 > 50 > 0.9718433045179683 > 41.51282710065207 > 1 > 3 > 0 > 1 > (3S)-4-{4-[(4-aminobut-2-yn-1-yl)oxy]benzenesulfonyl}-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide > 1.03 > -0.20713268118495667 > -4.07 > 0 > 1 > 2 > 1 > 16.726376102810004 > 8.453162572212744 > 9.063108678267906 > 121.96 > 104.7639 > 6 > 1 > 3.50e-02 g/l > tetrahydrofolic acid > 0 $$$$