11501341 -OEChem-10051722043D 52 53 0 0 0 0 0 0 0999 V2000 -4.1700 -3.4352 -0.4537 F -1 0 0 0 0 0 0 0 0 0 0 0 -5.4761 0.9901 0.5632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 1.8109 -0.8812 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1947 -1.6920 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -0.9935 0.4091 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3759 2.3255 0.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9120 2.7124 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 1.1150 -0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8306 0.5730 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9214 1.5821 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8719 -0.8609 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3589 -0.3225 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 0.1160 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 2.3429 0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 0.3510 -0.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 2.5781 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1974 0.8675 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9429 -0.0902 -0.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -0.7683 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1169 -1.0249 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 0.1569 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -1.2477 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -0.0658 1.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2022 -3.0519 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4569 -3.8754 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2679 -0.0931 1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9059 3.0075 0.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 2.3774 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 3.7345 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 2.6513 1.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3700 1.2228 1.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2969 0.6366 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9118 -1.1891 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3673 -0.9336 2.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 -0.8641 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8251 3.1314 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.4301 -1.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 3.5590 0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6464 1.5558 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5026 -0.7410 -1.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -1.4052 -2.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4052 0.6872 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 -1.7958 -1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7522 0.3085 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7013 -3.1371 1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2337 -3.4094 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9137 -1.6171 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 -4.9349 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 -3.7543 -1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1756 0.9344 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3187 -0.3852 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0218 -0.1190 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 11 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M ISO 1 1 18 M END > DB09148 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NCWZOASIUQVOFA-FWZJPQCDSA-N/SDF?record_type=3d > CNC1=CC=C(\C=C\C2=CC=C(OCCOCCOCC[18F])C=C2)C=C1 > InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3/b3-2+/i22-1 > NCWZOASIUQVOFA-FWZJPQCDSA-N > C21H26FNO3 > 358.444 > 358.192206368 > 4 > 52 > 41.65184077247202 > 1 > 1 > 0 > 1 > 4-[(E)-2-[4-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl]-N-methylaniline > 4.20 > 3.735232458333334 > -5.54 > 0 > 2 > 0 > 4.6198519271231495 > 39.72 > 104.857 > 12 > 1 > 1.03e-03 g/l > 4-[(E)-2-[4-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)phenyl]ethenyl]-N-methylaniline > 0 $$$$