2771 -OEChem-10051719103D 45 47 0 1 0 0 0 0 0999 V2000 -2.0573 5.0073 -0.1688 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 -0.6063 1.6317 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 -2.2435 -0.2846 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6873 -1.0534 -0.4823 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0688 -0.2352 0.2173 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9383 -1.2115 -0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3868 -0.3360 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0974 -0.8278 0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 -1.2495 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 1.1570 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1732 -1.0954 2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2381 -2.2038 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -0.0271 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -1.0245 0.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 1.6098 -1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 2.0026 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -0.2160 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1254 -0.7114 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6303 2.9110 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 3.3037 1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 3.7579 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5656 -2.6712 1.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -3.1365 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5387 -0.9001 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9309 -1.0300 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 -2.2236 -0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 -1.5750 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -0.2593 -0.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0835 -2.1657 2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.5528 2.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2729 -1.8487 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 -3.2044 -0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.3501 -2.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -1.4142 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 1.0001 -1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1226 1.6946 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 0.0249 -2.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0451 3.2676 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 3.9649 1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -1.8826 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 -3.5834 1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 -2.8741 1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -4.1724 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4802 -2.8055 -2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4691 -3.1188 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 24 3 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 24 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 M END > DB00215 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WSEQXVZVJXJVFP-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1 > InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 > WSEQXVZVJXJVFP-UHFFFAOYSA-N > C20H21FN2O > 324.3919 > 324.163791509 > 3 > 45 > 0.9983620132286904 > 35.29621323231018 > 1 > 0 > 0 > 1 > 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile > 3.58 > 3.764304206333334 > -4.74 > 0 > 1 > 3 > 1 > 9.784977656720883 > 36.26 > 94.0202 > 5 > 1 > 5.88e-03 g/l > tetrahydrofolic acid > 1 $$$$