2200 -OEChem-10051721283D 39 41 0 1 0 0 0 0 0999 V2000 -0.2837 0.2194 -0.0834 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.4068 0.4826 -0.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5385 2.4043 0.2557 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0133 0.9937 -1.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3432 1.3200 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5559 0.9181 0.8971 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5437 1.0037 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.1853 -0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 2.3232 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0019 0.9458 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 -1.8532 1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0519 -1.9194 -1.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 -0.0833 0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4702 2.0004 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -3.2466 1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -3.3128 -1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 -0.0575 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 2.0262 -0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 -3.9764 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 0.9973 -0.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4942 1.9282 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1618 0.4594 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 0.4673 1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2024 1.9489 1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8543 0.3353 0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3877 1.1752 -0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 3.1817 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 2.3627 1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4068 -0.4007 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -1.3015 1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.4190 -2.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 -0.9090 1.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 2.8080 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2204 -3.7633 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -3.8812 -2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8548 -0.8585 0.7862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 2.8476 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 -5.0614 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7114 1.0176 -0.5928 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 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 29 1 0 0 0 0 3 5 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 2 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 32 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 19 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 17 20 2 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 M END > DB08799 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/REYFJDPCWQRWAA-UHFFFAOYSA-N/SDF?record_type=3d > C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1 > InChI=1S/C17H19N3/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19) > REYFJDPCWQRWAA-UHFFFAOYSA-N > C17H19N3 > 265.3529 > 265.157897623 > 3 > 39 > 0.9943272833850388 > 30.112006714906364 > 1 > 1 > 0 > 1 > N-benzyl-N-[(4,5-dihydro-1H-imidazol-2-yl)methyl]aniline > 3.22 > 2.8763921879999996 > -3.37 > 0 > 1 > 3 > 1 > 9.24373819787142 > 27.63 > 82.88750000000003 > 5 > 1 > 1.14e-01 g/l > biotin > 1 $$$$