24808495 -OEChem-10051720543D 47 49 0 0 0 0 0 0 0999 V2000 -4.6836 -1.7459 -1.4556 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 2.0150 1.8087 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 0.3583 0.2847 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.0127 0.3482 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8737 -1.9330 -0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1258 -2.3533 0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9139 -0.4124 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 -1.4856 1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 -0.0044 1.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 -2.2961 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -2.6888 -2.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 1.3694 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1108 1.7051 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1551 2.6770 -0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1235 1.3113 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0185 2.9563 -1.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 2.2649 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2935 0.5547 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 -0.2464 -0.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7779 0.6244 1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5539 -0.9084 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 -0.9780 -0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.1070 1.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7615 -1.6899 1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 -3.4056 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0148 -2.2757 -0.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 -0.0976 -1.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7430 -0.1693 -1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -1.7554 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -1.6839 2.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 0.5965 1.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 0.2316 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 -3.3705 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 -1.7679 1.0525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 -2.0408 -0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7581 -2.4604 -2.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8373 -3.7729 -1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -2.4161 -2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0708 3.2094 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 3.7120 -2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 2.4842 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 -0.3197 -1.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 1.2462 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2741 -0.0415 2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9703 -1.6073 2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6178 -2.7517 0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6402 -1.3253 0.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 M END > DB06992 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SIDDLTBLAQYZIZ-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(C=C1F)C1=NC(=CC=C1)C(=O)N1CCCC(C)(C)C1 > InChI=1S/C20H23FN2O/c1-14-8-9-15(12-16(14)21)17-6-4-7-18(22-17)19(24)23-11-5-10-20(2,3)13-23/h4,6-9,12H,5,10-11,13H2,1-3H3 > SIDDLTBLAQYZIZ-UHFFFAOYSA-N > C20H23FN2O > 326.4078 > 326.179441573 > 2 > 47 > 2.476609307579523e-05 > 36.18832548772791 > 1 > 0 > 0 > 1 > 2-(3,3-dimethylpiperidine-1-carbonyl)-6-(3-fluoro-4-methylphenyl)pyridine > 4.05 > 4.721954961666667 > -4.21 > 0 > 0 > 3 > 0 > 1.3940448340494442 > 33.2 > 93.4344 > 2 > 1 > 2.00e-02 g/l > tetrahydrofolic acid > 1 $$$$