3162 -OEChem-10051719133D 42 43 0 1 0 0 0 0 0999 V2000 0.5131 -1.1100 0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -1.2932 0.1429 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 2.0443 1.1274 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.2597 0.6346 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8725 -0.7085 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1724 1.1656 0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -0.4867 2.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8263 -0.7199 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 -1.6678 -0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 0.0147 0.6448 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 -1.8146 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 1.4084 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2303 -0.3932 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2631 -2.2224 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0741 2.7114 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3845 -1.5116 -0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4711 0.0796 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 -2.2180 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3514 3.3001 0.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3562 3.6814 -0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5666 -0.0060 2.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.5562 2.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 -0.0713 2.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0252 0.2981 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 -0.7932 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.6876 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6703 -1.6776 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8513 0.8883 1.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.3922 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4144 0.6459 -1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1034 0.1605 0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3837 -3.0933 -1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 2.9704 -2.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3774 -1.8291 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 0.8138 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1810 0.2696 -1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 0.2946 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 -1.9766 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 -2.1959 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 -3.2444 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5656 4.0188 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 4.7033 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 19 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 13 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 2 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END > DB00366 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HCFDWZZGGLSKEP-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1 > InChI=1S/C17H22N2O/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16/h4-12H,13-14H2,1-3H3 > HCFDWZZGGLSKEP-UHFFFAOYSA-N > C17H22N2O > 270.3694 > 270.173213336 > 3 > 42 > 0.9867502818157474 > 31.090987575298218 > 1 > 0 > 0 > 1 > dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine > 2.90 > 2.9619422236666666 > -2.70 > 0 > 1 > 2 > 1 > 8.866417098578472 > 25.36 > 82.23730000000002 > 6 > 1 > 5.41e-01 g/l > biotin > 1 $$$$