24822371 -OEChem-10051722043D 51 52 0 0 0 0 0 0 0999 V2000 11.0974 0.6716 -1.0523 F -1 0 0 0 0 0 0 0 0 0 0 0 5.0671 -0.6602 -0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -0.8286 0.7311 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5121 0.4858 -0.1175 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4684 0.5414 -0.3704 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3751 -1.1348 -0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4234 -1.9173 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4746 -0.7704 -0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9287 -1.7363 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 0.5920 -0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3417 -0.2163 -0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 0.0273 0.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0827 0.2870 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1102 -0.5345 0.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -0.4789 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2281 -1.2529 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8258 1.0722 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 0.3040 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5986 -1.0014 -0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1962 1.3238 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 0.6254 1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5915 0.3444 1.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1572 1.7373 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 -0.8373 -0.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6459 1.5520 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0079 1.8046 -0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -2.6335 -0.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6319 -2.2886 0.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7132 -1.1374 0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8841 -1.4877 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 -2.7079 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7379 -1.3243 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8783 0.9522 -1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6868 1.3135 0.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5996 -1.4009 -0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8700 -2.2640 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1738 1.9149 0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3111 1.2007 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2787 -1.8180 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5426 2.3367 0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1981 1.3111 2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 0.8021 2.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9601 2.0924 -1.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7757 2.4676 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4771 -1.3330 -1.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0684 -0.2725 -0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8731 1.1272 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1872 2.4931 -0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0904 1.7159 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8411 2.5712 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5808 2.1420 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 0 0 0 0 5 46 1 0 0 0 0 6 14 2 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 24 2 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 22 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 20 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M ISO 1 1 18 M END > DB09149 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YNDIAUKFXKEXSV-CRYLGTRXSA-N/SDF?record_type=3d > [H]N(C1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])N=C(OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])OC([H])([H])C([H])([H])[18F])C([H])=C2[H])C([H])=C1[H])C([H])([H])[H] > InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1 > YNDIAUKFXKEXSV-CRYLGTRXSA-N > C20H25FN2O3 > 359.432 > 359.18745534 > 5 > 51 > 40.433515657578035 > 1 > 1 > 0 > 1 > 4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline > 3.61 > 3.1120175613333334 > -4.79 > 0 > 2 > 0 > 4.620648867209913 > 52.61 > 103.01360000000003 > 12 > 1 > 5.80e-03 g/l > 4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]-N-methylaniline > 0 $$$$