1548970 -OEChem-10311713033D 40 41 0 1 0 0 0 0 0999 V2000 -5.2364 -0.7265 -0.5460 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 -0.2035 1.5248 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2379 1.3611 0.0627 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 0.5615 -0.8575 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0469 3.3676 0.0052 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 0.2520 0.2185 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0936 1.1115 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -1.2356 0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.6121 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 -1.9039 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 -1.9024 1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3998 0.4690 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -3.2772 -1.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -3.2756 1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -0.4146 -1.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 1.2581 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 0.2791 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5719 -3.9630 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 4.7998 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5551 -0.5096 -1.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3272 1.1629 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5824 0.1773 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3662 0.5001 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 0.8362 0.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5784 0.8866 -0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1059 2.8889 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3363 2.8466 1.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 -1.3921 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -1.3760 2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4981 3.1196 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 -3.8117 -1.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 -3.8098 2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -1.0288 -2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 1.9669 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7627 -5.0320 0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 5.3431 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 5.1069 0.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 5.1023 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 -1.2031 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 1.7847 1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 22 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 16 21 2 0 0 0 0 16 34 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END > DB08472 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RTHCYVBBDHJXIQ-MRXNPFEDSA-N/SDF?record_type=3d > CNCC[C@@H](OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 > InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3/t16-/m1/s1 > RTHCYVBBDHJXIQ-MRXNPFEDSA-N > C17H18F3NO > 309.3261 > 309.134048818 > 2 > 40 > 30.32246570775346 > 1 > 1 > 0 > 1 > methyl[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine > 4.09 > 4.1732195433333334 > -5.26 > 0 > 2 > 1 > 9.80313944120745 > 21.259999999999998 > 80.36750000000002 > 7 > 1 > 1.70e-03 g/l > methyl[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine > 1 $$$$