71657619 -OEChem-12152013033D 56 58 0 0 0 0 0 0 0999 V2000 -7.3019 -2.5718 -0.0935 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9164 -0.4975 -0.3119 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8630 -1.4894 -1.9275 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2721 -1.3394 -2.1494 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9744 0.7005 -1.8487 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3092 -0.9799 -1.4531 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 0.3107 2.2505 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 1.5897 0.5457 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 -0.0799 1.0446 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1715 -0.1663 0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5170 -2.3329 -0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 1.8950 -0.2037 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 0.0991 0.7819 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 -0.6539 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 3.1659 0.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 2.0589 -1.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4719 4.1108 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2739 3.5717 -1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8325 0.2845 1.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 -1.3203 0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 0.9171 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8004 0.6894 0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -0.1253 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7908 -1.5252 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 0.7578 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0197 0.2873 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 -1.3420 1.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 -0.9293 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 -1.1485 -0.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9341 -1.7439 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8892 -1.3605 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -0.5909 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0317 -0.5557 -1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3397 0.3142 0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 3.0976 1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5285 3.5094 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 1.5676 -2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3504 1.6656 -1.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 4.0331 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 5.1551 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 3.9047 -2.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3309 3.8926 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9154 1.3357 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 -0.2533 2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1867 -1.9349 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0307 -1.6926 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 0.6356 2.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1525 1.9770 1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4549 -1.2816 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1029 -2.5747 -0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 1.3238 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 1.1620 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 0.9203 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 -1.9880 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3583 -2.6952 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -1.6100 0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 34 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 34 1 0 0 0 0 10 29 1 0 0 0 0 10 32 1 0 0 0 0 11 29 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 25 1 0 0 0 0 20 45 1 0 0 0 0 20 48 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 49 1 0 0 0 0 24 52 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 28 2 0 0 0 0 26 53 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 30 55 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 M END > DB16036 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SQZJGTOZFRNWCX-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)C(OC(=O)N1CCN(CC2=CC=C(C=C2N2CCCC2)C(F)(F)F)CC1)C(F)(F)F > InChI=1S/C20H22F9N3O2/c21-18(22,23)14-4-3-13(15(11-14)31-5-1-2-6-31)12-30-7-9-32(10-8-30)17(33)34-16(19(24,25)26)20(27,28)29/h3-4,11,16H,1-2,5-10,12H2 > SQZJGTOZFRNWCX-UHFFFAOYSA-N > C20H22F9N3O2 > 507.401 > 507.156830427 > 3 > 56 > 0.1881143517872603 > 41.2126718493581 > 1 > 0 > 0 > 0 > 1,1,1,3,3,3-hexafluoropropan-2-yl 4-{[2-(pyrrolidin-1-yl)-4-(trifluoromethyl)phenyl]methyl}piperazine-1-carboxylate > 5.09 > 4.969596986666668 > -4.38 > 1 > 0 > 3 > 0 > 15.008535126380947 > 6.365100085872835 > 36.02 > 105.05930000000002 > 8 > 0 > 2.11e-02 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 1 $$$$