16065403 -OEChem-10051722453D 65 68 0 0 0 0 0 0 0999 V2000 -3.4277 1.0719 -1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -0.6816 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -3.5489 -0.3953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 3.0653 0.9191 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 0.3508 -2.7238 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2386 2.8776 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 3.0647 -0.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3724 1.7572 1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1701 2.1256 -0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 1.5145 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7281 1.3588 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 2.8823 2.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4972 4.0556 0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 -0.0476 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8916 -1.2242 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 -0.0617 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3813 -0.1923 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 0.0817 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9322 -1.0154 2.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3177 -1.1845 -1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -2.4881 0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4978 1.0486 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 -1.2479 -0.7888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6443 0.4073 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6679 -2.0705 2.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6913 -1.1971 -1.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 -3.5430 1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 1.0359 -0.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3626 -3.3341 2.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4681 -0.0870 -1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8067 -2.2516 -0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5497 -0.5966 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1309 -1.9259 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 4.0489 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 2.6782 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9011 0.7809 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 1.6856 1.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 2.6974 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 1.2885 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 0.7093 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 1.6038 1.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0136 2.1236 -0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 3.8147 3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 2.7971 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4446 2.0552 3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0662 5.0143 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5523 4.0826 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 4.0239 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 -0.0552 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7422 -2.0549 -1.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 -2.6972 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1021 1.9514 0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5413 0.3166 -3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8878 0.8352 -2.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -1.4937 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9888 1.4366 -0.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 -1.9096 4.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1553 -2.0688 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0879 -4.5282 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 1.8999 -0.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1587 -4.1561 3.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5374 -0.0962 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5815 -0.3433 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8410 -2.7035 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4538 -3.5909 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 31 1 0 0 0 0 3 65 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 17 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 25 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 21 27 2 0 0 0 0 21 51 1 0 0 0 0 22 28 2 0 0 0 0 22 52 1 0 0 0 0 23 31 2 0 0 0 0 23 55 1 0 0 0 0 24 32 1 0 0 0 0 24 56 1 0 0 0 0 25 29 2 0 0 0 0 25 57 1 0 0 0 0 26 30 2 0 0 0 0 26 58 1 0 0 0 0 27 29 1 0 0 0 0 27 59 1 0 0 0 0 28 30 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 M END > DB12408 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WGOJWDWKHJHXSV-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1)N1CC(C1)OC1=CC=CC(O)=C1 > InChI=1S/C28H32N2O3/c1-27(2,30-19-25(20-30)33-24-15-9-14-23(31)18-24)16-17-28(26(29)32,21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-15,18,25,31H,16-17,19-20H2,1-2H3,(H2,29,32) > WGOJWDWKHJHXSV-UHFFFAOYSA-N > C28H32N2O3 > 444.575 > 444.241292898 > 4 > 65 > 49.69257445533704 > 1 > 2 > 0 > 0 > 5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide > 4.93 > 5.123939397333333 > -5.43 > 1 > 4 > 1 > 16.204232397775165 > 9.47981615532396 > 7.269607374424065 > 75.79 > 130.38660000000002 > 9 > 0 > 1.65e-03 g/l > 5-[3-(3-hydroxyphenoxy)azetidin-1-yl]-5-methyl-2,2-diphenylhexanamide > 0 $$$$