1949 -OEChem-10051719463D 55 56 0 1 0 0 0 0 0999 V2000 -6.9069 -1.1171 -2.6193 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 1.0713 3.1295 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 2.8064 -0.3425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6428 0.1314 2.5204 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3572 -2.5782 -0.4730 N 0 0 2 0 0 0 0 0 0 0 0 0 4.5392 0.1088 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1291 -0.8942 -0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 1.5451 -0.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -2.3473 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 2.5496 -1.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 2.4919 -1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -2.2643 0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0715 -3.9637 -0.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 -2.4318 0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1531 2.2147 0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 1.9383 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1787 1.8965 -0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 1.0128 0.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2301 1.3353 1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 1.2934 -0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 -3.2913 1.5282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 0.3841 1.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5379 0.0179 0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 -1.2325 -0.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5155 0.9464 0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5285 -1.5737 -1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5284 0.6050 -0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -0.6550 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -0.1170 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -0.0118 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2229 -0.7952 -0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 -0.6379 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 1.7623 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0021 1.6558 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2422 -2.5779 -1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -3.0071 0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 3.5537 -1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 2.3668 -2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4333 1.5170 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3893 3.2544 -2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1694 -2.8690 1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8804 -1.2144 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5894 -4.2172 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3935 -4.6787 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 -4.1223 -1.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 -1.8068 0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 2.1865 2.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 2.1283 -1.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 1.0659 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 -3.3605 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0641 -3.9356 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7336 -1.9500 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5137 1.9281 0.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -2.5596 -1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3050 1.3325 -1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 9 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 21 2 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 17 20 2 0 0 0 0 17 48 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 M END > DB02016 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CMYCCJYVZIMDFU-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCCCCCOC1=CC=C(C(=O)C2=CC=C(Br)C=C2)C(F)=C1)CC=C > InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3 > CMYCCJYVZIMDFU-UHFFFAOYSA-N > C23H27BrFNO2 > 448.368 > 447.120919965 > 3 > 55 > 0.9961934822684565 > 46.10835945557267 > 0 > 0 > 0 > 0 > {6-[4-(4-bromobenzoyl)-3-fluorophenoxy]hexyl}(methyl)(prop-2-en-1-yl)amine > 5.57 > 6.402736235 > -6.46 > 0 > 1 > 2 > 1 > 9.417815838652613 > 29.54 > 116.8297 > 12 > 0 > 1.55e-04 g/l > tetrahydrofolic acid > 0 $$$$