11229234 -OEChem-10051721053D 26 27 0 0 0 0 0 0 0999 V2000 0.8072 0.1786 0.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 0.7689 -0.6286 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9518 1.7684 0.1770 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9704 -0.5237 0.3134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1946 0.2463 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -0.7152 0.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7325 -1.8546 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -1.9777 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5099 -0.1639 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6119 -0.9719 -0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 1.1879 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0229 1.5163 -0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -0.4111 -0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9991 0.9517 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9576 1.0673 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 -0.4056 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 -2.6396 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2157 -2.8838 -0.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1526 1.3877 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5099 -2.0398 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9268 1.8873 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 1.8899 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 2.3768 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7684 0.8779 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 -1.0214 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 1.4376 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 11 1 0 0 0 0 3 14 2 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 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 17 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END > DB07617 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MDGMPFRIYUFRRX-UHFFFAOYSA-N/SDF?record_type=3d > CNCC1=CC=C(O1)C1=CC=CN=C1 > InChI=1S/C11H12N2O/c1-12-8-10-4-5-11(14-10)9-3-2-6-13-7-9/h2-7,12H,8H2,1H3 > MDGMPFRIYUFRRX-UHFFFAOYSA-N > C11H12N2O > 188.2258 > 188.094963016 > 2 > 26 > 0.9805847325285423 > 21.029148735675083 > 1 > 1 > 0 > 1 > methyl({[5-(pyridin-3-yl)furan-2-yl]methyl})amine > 1.20 > 0.9413953483333334 > -2.76 > 0 > 1 > 2 > 1 > 8.672579094327938 > 38.06 > 54.5537 > 3 > 1 > 3.31e-01 g/l > tetrahydrofolic acid > 1 $$$$