4601 -OEChem-10051719313D 43 44 0 1 0 0 0 0 0999 V2000 0.5761 1.1598 -0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2578 1.1232 -0.1968 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 0.2969 0.5081 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2780 -1.1181 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7964 0.8802 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8827 0.6405 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 -2.1505 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 1.6093 -0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -1.3367 -1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 0.6072 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 1.6733 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1724 -3.4444 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 -1.9181 2.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 -2.6305 -1.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0297 -3.6843 -1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 1.1446 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2754 2.2107 -1.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 0.9410 1.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 2.0496 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 1.9463 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.3447 1.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 0.5356 1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 -0.3300 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 1.7130 -1.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 2.6074 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -0.5320 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 -0.0164 2.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2198 1.8905 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4275 -4.2771 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 -1.5197 2.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 -1.2447 2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5065 -2.8536 2.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -2.8169 -2.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -4.6915 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8862 0.9385 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 2.8340 -1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5887 0.7423 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0107 0.0610 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2551 1.8224 1.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2446 1.6592 -0.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 3.0399 -0.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 2.1684 -1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2987 2.3644 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 2 8 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 4 7 1 0 0 0 0 4 9 2 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 14 1 0 0 0 0 9 26 1 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 11 17 2 0 0 0 0 11 28 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 M END > DB01173 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QVYRGXJJSLMXQH-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1C > InChI=1S/C18H23NO/c1-15-9-7-8-12-17(15)18(20-14-13-19(2)3)16-10-5-4-6-11-16/h4-12,18H,13-14H2,1-3H3 > QVYRGXJJSLMXQH-UHFFFAOYSA-N > C18H23NO > 269.3813 > 269.177964363 > 2 > 43 > 0.9866015446163463 > 31.834525495943083 > 1 > 0 > 0 > 1 > dimethyl({2-[(2-methylphenyl)(phenyl)methoxy]ethyl})amine > 3.50 > 4.1653286513333345 > -3.95 > 0 > 1 > 2 > 1 > 8.86708705664583 > 12.47 > 84.96820000000001 > 6 > 1 > 3.00e-02 g/l > tetrahydrofolic acid > 1 $$$$