941651 -OEChem-10051719393D 59 62 0 0 0 0 0 0 0999 V2000 -0.9833 3.3960 -0.9945 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0089 0.5440 1.6636 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6795 4.8204 -1.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3298 2.6856 -2.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -1.9623 0.4535 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5718 -2.2600 -0.1375 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2497 3.1641 0.1611 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2811 -1.7290 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -2.9480 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 -1.2758 -0.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 -2.4940 1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 -2.3963 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -1.3126 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9659 -1.8243 -0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 -1.7325 -0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9741 -0.8715 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 0.5660 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 -1.4024 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5772 1.2930 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 1.2367 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 -0.8137 0.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3831 2.5894 -0.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 2.6506 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -2.4480 -1.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2393 3.2941 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 -1.3010 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0385 -2.9208 -1.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 -2.3512 -0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 1.7674 0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 4.0362 1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 -2.6351 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 -0.9290 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2238 -3.0661 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5210 -3.9323 0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 -0.2913 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1068 -1.1608 -1.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6337 -3.2779 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1297 -1.5872 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2653 -3.3404 -0.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0002 -2.5838 1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7945 -1.1464 -1.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6722 -0.4405 0.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3663 -1.6946 -1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0852 -0.8791 0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5874 -2.5827 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 -2.7953 -0.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 0.7676 -1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 3.2238 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 -2.9044 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 4.3450 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4502 -0.8656 1.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3018 -3.7316 -1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0305 -2.7193 -0.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6067 1.1493 -0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6622 1.7520 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9742 1.3493 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1274 5.0842 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4529 3.7463 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2113 3.9526 1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 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 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 24 2 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 47 1 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 M END > DB01623 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GFBKORZTTCHDGY-UWVJOHFNSA-N/SDF?record_type=3d > CN(C)S(=O)(=O)C1=CC2=C(SC3=CC=CC=C3\C2=C\CCN2CCN(C)CC2)C=C1 > InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8- > GFBKORZTTCHDGY-UWVJOHFNSA-N > C23H29N3O2S2 > 443.625 > 443.170118567 > 4 > 59 > 0.9347394124746737 > 50.34663329476828 > 1 > 0 > 0 > 0 > (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide > 4.01 > 3.3624241666666657 > -4.50 > 0 > 1 > 4 > 1 > 8.15589849251916 > 43.86000000000001 > 137.8545 > 4 > 1 > 1.39e-02 g/l > biotin > 0 $$$$