2157 -OEChem-06201817503D 60 62 0 0 0 0 0 0 0999 V2000 2.1727 0.3364 3.0407 I 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 2.6317 -2.6114 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.5056 -1.7406 0.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3217 1.5789 0.2835 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 2.1300 -0.2903 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4058 -0.3118 -0.4024 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2354 0.4793 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1956 -0.4177 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 -0.2081 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1995 0.9870 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.4867 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4264 -2.3941 0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 0.8073 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2504 1.9536 0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 1.0709 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7607 0.1426 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -1.3365 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0987 0.4650 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2221 -1.9769 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 1.2062 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 -3.7710 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1605 2.4691 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4446 0.7379 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2639 -2.5406 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9643 1.4567 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 -3.3576 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1243 -4.2366 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1474 0.8148 1.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 1.7227 -1.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2388 0.9402 1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 1.8479 -0.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7691 1.3364 1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8154 -0.0430 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6979 0.1294 -0.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6237 1.4843 -0.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 1.6911 -0.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 1.1267 1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7562 2.8037 1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8550 1.4510 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 0.9042 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 -0.6558 -1.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 -1.7144 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8057 -0.9700 1.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8802 0.2308 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 -0.4125 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -1.3222 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 -4.4463 0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6922 1.6452 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9048 3.1571 -0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5874 3.0064 -1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 1.5763 0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6621 0.0015 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4169 1.1404 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 -2.8778 -0.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 -2.3491 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0887 -3.3758 0.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 -3.7495 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9939 -5.3027 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 0.4176 2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6092 2.0218 -1.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 22 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 24 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 26 1 0 0 0 0 19 46 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 M END > DB01118 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IYIKLHRQXLHMJQ-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2 > InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 > IYIKLHRQXLHMJQ-UHFFFAOYSA-N > C25H29I2NO3 > 645.3116 > 645.023680639 > 3 > 60 > 56.78106547403644 > 0 > 0 > 0 > 0 > {2-[4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenoxy]ethyl}diethylamine > 7.24 > 7.635421424666667 > -5.13 > 1 > 3 > 1 > 8.466812373081993 > 42.68 > 145.05479999999997 > 11 > 0 > 4.76e-03 g/l > amiodarone > 0 $$$$