11186829 -OEChem-10051722053D 50 52 0 1 0 0 0 0 0999 V2000 4.1327 0.6610 2.0261 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9317 1.5921 -0.2785 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6491 -0.1888 -1.7493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -1.3109 1.1819 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2556 -2.5154 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 3.8755 -0.7485 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 0.0941 -0.3732 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4317 -0.0400 -0.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.5210 -0.0773 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8238 0.2970 1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9151 -1.4510 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -0.9522 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 2.5185 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 0.0382 1.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3941 -1.6120 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.9406 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4232 2.9043 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7545 3.9252 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9576 -1.7234 -0.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -0.1354 1.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3501 -1.7004 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -0.1125 1.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0847 -0.8950 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 -3.8495 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 0.6204 -0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 1.7751 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 -0.3218 2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 1.3455 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7605 -1.6755 -1.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4049 -2.2191 0.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5038 -1.9698 0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -0.8211 1.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0217 2.2826 -2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 2.5431 -0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9279 0.7202 0.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5578 0.2000 2.5592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7059 -2.6467 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0165 -0.9687 -0.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6874 -1.1498 -1.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 4.1380 0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 2.8992 -0.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2636 3.1402 1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 4.9324 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0054 3.7199 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 0.4622 2.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8693 -2.3066 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 -0.8766 0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7384 -3.9011 0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 -4.4808 -1.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1341 -4.2264 -1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 39 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 19 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 18 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 45 1 0 0 0 0 21 23 2 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END > DB09184 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CPBHSHYQQLFAPW-ZWKOTPCHSA-N/SDF?record_type=3d > [H][C@]1(CNCCO1)[C@@](O)(CC1=C(OC)C=CC(F)=C1)C1CCOCC1 > InChI=1S/C18H26FNO4/c1-22-16-3-2-15(19)10-13(16)11-18(21,14-4-7-23-8-5-14)17-12-20-6-9-24-17/h2-3,10,14,17,20-21H,4-9,11-12H2,1H3/t17-,18+/m0/s1 > CPBHSHYQQLFAPW-ZWKOTPCHSA-N > C18H26FNO4 > 339.407 > 339.184586484 > 5 > 50 > 35.19409348912119 > 1 > 2 > 0 > 1 > (1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-(oxan-4-yl)ethan-1-ol > 1.42 > 1.3617737563333334 > -3.14 > 0 > 3 > 1 > 13.399731560608068 > 8.137673210185092 > 59.95 > 88.6309 > 5 > 1 > 2.47e-01 g/l > (1R)-2-(5-fluoro-2-methoxyphenyl)-1-[(2S)-morpholin-2-yl]-1-(oxan-4-yl)ethanol > 0 $$$$