37393 -OEChem-10051719323D 63 65 0 1 0 0 0 0 0999 V2000 2.4511 -4.8799 0.4851 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.9321 -2.0128 0.1235 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6809 5.1090 -0.6892 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 4.4659 0.4697 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 4.1885 -1.6870 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 -2.4713 -0.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0292 -0.3897 0.7007 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3707 -1.4299 1.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 -1.2062 1.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2438 -1.2191 0.0770 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3397 -0.8468 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1686 0.8362 1.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 -1.0414 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 -1.7917 -0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 2.0452 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 0.2112 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2599 0.3206 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 -2.1912 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -0.8696 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 -2.1238 0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5383 -2.2985 -1.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 3.3353 1.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 1.3538 -0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 1.6238 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 2.7519 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4763 -0.8817 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 2.6167 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 -3.3041 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3911 -3.2118 -2.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6009 4.5478 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2111 -2.0628 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -3.2746 0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 4.1009 -0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7489 -1.4511 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.4350 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 -0.2781 2.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4131 -2.0187 2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7427 -0.4893 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 -1.3350 1.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9632 -0.0116 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 0.7680 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 1.0181 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -2.6607 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -1.2657 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 2.1295 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1809 1.9401 -0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -3.1430 0.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0435 -2.8442 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1786 -1.4505 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3840 3.2692 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6309 3.4716 2.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0465 1.3257 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 1.7815 -0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 -2.4423 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0326 0.0461 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0528 3.4794 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 -2.6857 -3.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7829 -4.0889 -2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3735 -3.5616 -2.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7039 4.6605 -0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7202 5.4585 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4667 4.4602 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -4.1930 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 31 1 0 0 0 0 3 33 1 0 0 0 0 4 33 1 0 0 0 0 5 33 1 0 0 0 0 6 10 1 0 0 0 0 6 54 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 11 14 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 21 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 22 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 20 2 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 30 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 33 1 0 0 0 0 26 31 2 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 28 32 2 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 32 63 1 0 0 0 0 M END > DB01218 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FOHHNHSLJDZUGQ-UHFFFAOYSA-N/SDF?record_type=3d > CCCCN(CCCC)CCC(O)C1=C2C=CC(=CC2=C2C=C(Cl)C=C(Cl)C2=C1)C(F)(F)F > InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 > FOHHNHSLJDZUGQ-UHFFFAOYSA-N > C26H30Cl2F3NO > 500.424 > 499.165654616 > 2 > 63 > 0.9991145818574216 > 51.5324816538504 > 0 > 1 > 0 > 0 > 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol > 7.34 > 8.056956757 > -6.66 > 1 > 1 > 3 > 1 > 14.470627226532233 > 10.052483453652846 > 23.47 > 131.6595 > 11 > 0 > 1.11e-04 g/l > biotin > 0 $$$$