4440 -OEChem-10051719263D 48 50 0 0 0 0 0 0 0999 V2000 5.0090 1.2438 -0.3829 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 0.3050 -0.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 2.3481 -1.1964 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 1.9501 -0.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6781 -3.2273 0.6814 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5946 1.8827 1.0906 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 0.2164 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 0.7864 1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8266 0.1401 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0925 2.1087 0.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 1.4858 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -1.1034 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6691 -1.3637 -0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -2.2633 0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -2.7062 0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 3.2074 -0.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4297 -0.5882 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 -1.1830 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7981 -3.3141 0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 -0.3672 -0.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8731 -2.5252 -0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 0.3325 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6728 2.6344 1.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 0.9426 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5854 0.9450 1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 0.0688 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5712 -0.6288 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3688 -0.1616 -2.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5581 2.4370 1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3621 2.8767 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 2.2241 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 1.3570 -2.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6712 -2.4953 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3216 3.5296 0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6413 3.0782 -1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1811 4.0120 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8335 -4.1833 0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 0.4595 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9385 -4.3588 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5611 -1.0078 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 0.3788 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 -2.9789 -0.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -0.4012 0.9109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 1.0261 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2574 1.2941 1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 3.2600 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 3.2893 2.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 1.9474 2.5932 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 6 1 0 0 0 0 1 22 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 23 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 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 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 33 1 0 0 0 0 15 19 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 M END > DB00952 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AMKVXSZCKVJAGH-UHFFFAOYSA-N/SDF?record_type=3d > CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1 > InChI=1S/C17H25N3O2S/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14/h3-4,11-12,14,18-19H,5-10H2,1-2H3 > AMKVXSZCKVJAGH-UHFFFAOYSA-N > C17H25N3O2S > 335.464 > 335.166747749 > 3 > 48 > 0.993450918957979 > 38.003156129234824 > 1 > 2 > 0 > 1 > N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethane-1-sulfonamide > 2.16 > 1.440624933 > -3.47 > 0 > 1 > 3 > 1 > 17.113643722273398 > 11.549356572949735 > 9.182862337667046 > 65.2 > 94.25720000000001 > 4 > 1 > 1.14e-01 g/l > biotin > 0 $$$$