24963047 -OEChem-10051720573D 44 46 0 0 0 0 0 0 0999 V2000 -3.8339 -0.7581 0.4999 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 -2.1075 0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1612 -0.1419 1.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 0.2825 -0.7460 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -0.2553 -0.3242 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4625 1.0513 -0.1333 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9788 2.8797 0.2989 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5449 1.1139 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 2.1001 0.5684 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7137 0.1827 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8038 1.8585 -1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0734 -0.7182 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7052 -0.6569 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 -0.6258 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4245 -1.6377 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 0.2319 1.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0353 -1.6070 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0563 0.2624 0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 0.6009 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 0.5926 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -0.5915 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 -1.8087 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2354 -1.8168 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 1.5689 0.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 0.7427 -1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 2.9620 0.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 2.4901 0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5196 1.6875 1.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6102 -0.3154 0.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8211 -0.5991 -1.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6551 0.7436 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7120 2.4682 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 1.1587 -2.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9685 2.5231 -2.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9843 -2.3766 -1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 0.9574 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4219 -2.3211 -1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5918 1.0003 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3098 1.5337 0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -2.7707 -0.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7789 -2.7355 -0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0021 -0.8699 -0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 3.2363 0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 3.5764 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 5 42 1 0 0 0 0 6 24 2 0 0 0 0 7 24 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > DB07162 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KFJCXIOVAGJCKB-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC2=C(NN=C2N)C=C1 > InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20) > KFJCXIOVAGJCKB-UHFFFAOYSA-N > C17H20N4O2S > 344.431 > 344.130696594 > 4 > 44 > -0.00041741752683579163 > 36.603383223615566 > 1 > 3 > 0 > 1 > 4-(3-amino-1H-indazol-5-yl)-N-tert-butylbenzene-1-sulfonamide > 2.75 > 2.592731109333334 > -4.69 > 0 > 0 > 3 > 0 > 15.256685364662186 > 10.161813977323735 > 3.4331849344310137 > 100.87 > 97.08340000000001 > 3 > 1 > 6.96e-03 g/l > biotin > 0 $$$$