5475 -OEChem-07072319053D 64 66 0 0 0 0 0 0 0999 V2000 -4.6027 -0.8107 -1.2719 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6021 -0.8093 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.7324 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3015 1.4056 -0.1013 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3019 1.4056 0.1009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6976 -1.6912 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 -1.6909 0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -0.3633 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -0.3631 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 0.5211 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6758 0.2014 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 0.2020 0.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4317 -0.0261 -0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4312 -0.0254 0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 -2.7315 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5765 -2.7311 0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3144 -1.0783 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -1.0774 0.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 0.3958 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 0.3966 0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7335 1.4227 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0955 1.5074 1.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 1.5055 -1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 1.4232 0.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8921 -2.4166 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 -2.4158 0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4527 0.2617 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 2.7955 1.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6869 2.7929 -1.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4533 0.2613 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 -0.6870 -0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0635 -0.0404 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8673 -0.6872 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0626 -0.0385 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 1.0175 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7033 1.0182 0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 -3.7683 -0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 -3.7680 0.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7425 0.6438 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9637 1.2081 -1.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7429 0.6433 -0.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9629 1.2098 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8693 1.3527 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2020 2.3750 -0.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0224 1.5634 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4608 0.6431 1.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 1.5612 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4628 0.6404 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8683 1.3546 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2022 2.3753 0.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5962 -3.2225 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -3.2216 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4991 0.2672 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4838 0.3381 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0558 -0.7184 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 3.6644 1.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7769 2.7660 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3177 2.9611 2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3204 2.9572 -2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 2.7634 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3886 3.6626 -1.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4994 0.2672 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4853 0.3362 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0563 -0.7184 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 18 1 0 0 0 0 2 20 1 0 0 0 0 3 10 2 0 0 0 0 4 11 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 11 19 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 20 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 13 35 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 25 2 0 0 0 0 15 37 1 0 0 0 0 16 26 2 0 0 0 0 16 38 1 0 0 0 0 17 25 1 0 0 0 0 18 26 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 27 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 28 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 30 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 M END > DB17965 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MPMFCABZENCRHV-UHFFFAOYSA-N/SDF?record_type=3d > CCN(CC)CCOC1=CC=C2C3=CC=C(OCCN(CC)CC)C=C3C(=O)C2=C1 > InChI=1S/C25H34N2O3/c1-5-26(6-2)13-15-29-19-9-11-21-22-12-10-20(30-16-14-27(7-3)8-4)18-24(22)25(28)23(21)17-19/h9-12,17-18H,5-8,13-16H2,1-4H3 > MPMFCABZENCRHV-UHFFFAOYSA-N > C25H34N2O3 > 410.558 > 410.256942963 > 5 > 64 > 2.000000165186094 > 49.854882239837465 > 1 > 0 > 0 > 1 > 2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one > 4.255756731333335 > 1 > 2 > 3 > 2 > 9.485366467486836 > 42.010000000000005 > 123.6707 > 12 > 1 > tilorone > 0 $$$$