3356 -OEChem-10051719313D 48 49 0 1 0 0 0 0 0999 V2000 3.2119 -1.4535 -0.3751 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 -3.1035 -1.7813 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 -3.4995 0.3658 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 0.7518 -1.8484 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8486 2.6915 -0.8598 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.7769 0.9328 0.0464 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 -0.1617 2.4179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -2.4461 0.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3066 -0.3393 0.2774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 2.9050 0.8856 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6455 1.4209 0.7627 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 1.9838 0.4307 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8162 2.0723 -1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 1.8139 -1.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 2.7195 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3291 2.6184 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 2.3234 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 0.2303 1.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 -0.6098 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 -1.9118 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 -0.0814 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0486 -0.8550 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -2.6854 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8064 -2.1570 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 -2.8637 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4219 1.0705 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8601 -2.7334 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7023 1.3669 -0.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2841 0.9576 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 1.3399 -1.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4384 3.0645 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 0.7646 -1.6868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0070 1.9805 -2.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0242 3.7581 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1925 2.4488 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 1.6217 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0719 3.3386 0.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 2.8312 1.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3509 3.3358 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8196 2.2755 2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0788 1.6611 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 0.9233 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 -3.7041 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -2.7648 -0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0894 -3.9078 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9965 -2.2493 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4346 1.5635 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5965 1.4710 -0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 7 18 2 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > DB01195 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DJBNUMBKLMJRSA-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)COC1=CC(C(=O)NCC2CCCCN2)=C(OCC(F)(F)F)C=C1 > InChI=1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26) > DJBNUMBKLMJRSA-UHFFFAOYSA-N > C17H20F6N2O3 > 414.3427 > 414.137811746 > 4 > 48 > 0.9975880515455305 > 35.915680825095095 > 1 > 2 > 0 > 1 > N-[(piperidin-2-yl)methyl]-2,5-bis(2,2,2-trifluoroethoxy)benzamide > 2.98 > 3.1881419053333335 > -4.11 > 0 > 1 > 2 > 1 > 19.557778400329564 > 13.68135173685723 > 9.616620255273542 > 59.59 > 88.39630000000001 > 9 > 1 > 3.24e-02 g/l > biotin > 0 $$$$