11171679 -OEChem-10051721053D 29 30 0 0 0 0 0 0 0999 V2000 0.6191 -0.0102 0.4323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6612 -0.5320 -0.3771 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0801 0.3394 -0.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 0.0881 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 0.7663 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 0.7884 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4434 2.0286 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0457 2.0523 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 0.1634 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9315 -1.1305 0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -1.5394 -0.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8617 -1.1719 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8362 0.8673 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1259 -1.7505 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1929 -0.9592 -0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 0.8484 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -0.6466 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.8413 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 2.8948 -0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 -1.5498 -0.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7952 -1.9275 0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5953 -0.3714 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9331 -1.0888 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 -2.2817 -0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3347 -2.0778 -1.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 -1.7898 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 1.9112 -0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 -2.7882 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1992 -1.3630 -0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 M END > DB07609 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PJHSLLRNPASXIS-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CC1=CC=C(O1)C1=CC=CN=C1 > InChI=1S/C12H14N2O/c1-14(2)9-11-5-6-12(15-11)10-4-3-7-13-8-10/h3-8H,9H2,1-2H3 > PJHSLLRNPASXIS-UHFFFAOYSA-N > C12H14N2O > 202.2524 > 202.11061308 > 2 > 29 > 0.946460614499849 > 22.77437799258586 > 1 > 0 > 0 > 1 > dimethyl({[5-(pyridin-3-yl)furan-2-yl]methyl})amine > 1.61 > 1.324443285666667 > -2.48 > 0 > 1 > 2 > 1 > 8.235970680987677 > 29.270000000000003 > 59.848400000000005 > 3 > 1 > 6.75e-01 g/l > biotin > 1 $$$$