16058752 -OEChem-10051722493D 43 45 0 0 0 0 0 0 0999 V2000 -5.8437 1.0988 2.1007 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 2.8383 0.1210 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8932 1.3855 -1.1539 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 2.6691 0.3178 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0307 0.8952 0.9602 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 -1.6584 -0.0512 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 -1.6452 -0.1925 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 -0.2565 0.9877 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1574 0.4722 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5791 -1.7906 0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2929 -0.5423 1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -3.0331 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 -0.4437 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3644 -2.8470 -0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2351 -1.5260 -1.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1276 -0.3583 -0.7453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -0.9045 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5771 -0.1722 0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 0.5201 -1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -0.8298 -1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4055 0.9111 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3203 1.6032 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 -0.0883 -1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7769 1.7988 -0.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 0.5461 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 1.3575 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1735 -1.9309 1.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 0.3707 1.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 -0.5765 2.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7943 -3.2549 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3212 -3.9055 0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9461 0.4526 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 -0.2629 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8962 -2.7907 -1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -3.7404 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8631 -2.4261 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 -1.4188 -2.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 -1.8629 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 -0.8586 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1439 0.3783 -2.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 -1.3422 -2.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6102 2.2943 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -0.0202 -2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 24 1 0 0 0 0 3 26 1 0 0 0 0 4 26 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 17 2 0 0 0 0 9 25 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 22 2 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 41 1 0 0 0 0 21 24 2 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 1 0 0 0 0 23 43 1 0 0 0 0 25 26 1 0 0 0 0 M END > DB12579 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UVUYWJWYRLJHEN-UHFFFAOYSA-N/SDF?record_type=3d > FC1=C(F)C=C(CN2CCC(CC2)NC2=CC=C(N=N2)C(F)(F)F)C=C1 > InChI=1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25) > UVUYWJWYRLJHEN-UHFFFAOYSA-N > C17H17F5N4 > 372.343 > 372.137337378 > 4 > 43 > 33.3891439407936 > 1 > 1 > 0 > 1 > N-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyridazin-3-amine > 4.24 > 3.1434210189999994 > -3.92 > 0 > 3 > 1 > 17.735671834628462 > 7.108535970828552 > 41.05 > 90.36990000000003 > 5 > 1 > 4.46e-02 g/l > N-{1-[(3,4-difluorophenyl)methyl]piperidin-4-yl}-6-(trifluoromethyl)pyridazin-3-amine > 0 $$$$