3086674 -OEChem-10051721293D 46 48 0 1 0 0 0 0 0999 V2000 6.7787 -0.9044 -0.3499 I 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 -1.1863 -1.0174 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 -1.5705 -0.2616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -1.8754 1.8317 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0987 0.3992 -0.3568 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.6194 0.6991 1.0070 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5458 1.5113 -1.1484 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1123 0.3338 1.0693 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7224 1.0895 -0.0019 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8367 2.2109 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0459 1.1950 -1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 2.7509 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5538 0.3080 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 0.6140 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 -1.1612 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 -0.8826 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 1.0517 0.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.2571 -1.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5705 -1.0138 0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 0.6158 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 -0.6929 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8079 -0.2565 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 -2.9784 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1214 0.1549 1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 1.6095 -2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 0.6054 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8025 2.1294 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0924 2.6869 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 2.4201 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 1.9823 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.2775 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7308 3.2275 -0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9918 3.5057 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 1.2226 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.1567 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8131 -0.8058 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 -1.8029 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 1.7297 1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -0.6359 -1.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0767 -0.1201 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9212 -1.8828 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1293 0.9679 1.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -1.3757 -1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7509 -3.1699 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9683 -3.5220 0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -3.3138 -0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 18 21 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M ISO 1 1 123 M END > DB08824 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HXWLAJVUJSVENX-HFIFKADTSA-N/SDF?record_type=3d > [H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C([123I])C=C1)C(=O)OC)N2CCCF > InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3/t14-,15+,16+,17-/m0/s1/i20-4 > HXWLAJVUJSVENX-HFIFKADTSA-N > C18H23FINO2 > 427.291 > 427.076880092 > 2 > 46 > 38.74665380853785 > 1 > 0 > 0 > 1 > methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-[4-(¹²³I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate > 4.24 > 3.701130281666666 > -4.88 > 1 > 3 > 1 > 9.455009222707973 > 29.540000000000003 > 97.33820000000003 > 6 > 1 > 5.66e-03 g/l > methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-[4-(¹²³I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate > 1 $$$$