44129623 -OEChem-10051720593D 44 46 0 1 0 0 0 0 0999 V2000 -2.0727 1.8526 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 1.8396 1.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 -0.3197 0.2340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8174 -2.9284 -0.1894 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 -1.6185 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4368 -0.1441 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8544 -2.4905 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0228 -1.5219 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1947 0.7613 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8514 0.7959 0.4297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 1.6938 -0.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0586 1.3693 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5393 1.1954 -0.0105 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0779 2.2805 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 0.9448 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4629 2.1181 -1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 0.7825 0.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9906 -0.2607 -0.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2662 -0.8534 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 -1.0002 1.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 -2.1781 -1.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5407 -2.3184 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -2.0246 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5515 -1.5739 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5793 0.1186 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9117 0.6241 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0499 -3.2411 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6824 -3.0180 0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4211 -1.5820 1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8375 -1.7550 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6835 1.7279 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 0.7059 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3539 -0.1711 0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 0.9728 1.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9889 1.7129 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 2.8645 -1.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 0.4991 1.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0636 2.5814 -1.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 0.2166 1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 -0.3068 -2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9315 -0.5793 2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5898 2.6288 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8990 -2.6868 -2.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 -2.9377 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 42 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 21 2 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END > DB07258 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQRJWLDQBNAQCC-GOSISDBHSA-N/SDF?record_type=3d > [H][C@](O)(C1=CC=NC=C1)C1=CC=C(OCCN2CCCC2)C=C1 > InChI=1S/C18H22N2O2/c21-18(16-7-9-19-10-8-16)15-3-5-17(6-4-15)22-14-13-20-11-1-2-12-20/h3-10,18,21H,1-2,11-14H2/t18-/m1/s1 > QQRJWLDQBNAQCC-GOSISDBHSA-N > C18H22N2O2 > 298.3795 > 298.168127958 > 4 > 44 > 0.9988150460799736 > 33.0447779115422 > 1 > 1 > 0 > 1 > (R)-(pyridin-4-yl)({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl})methanol > 2.19 > 2.039234532333334 > -2.64 > 1 > 1 > 3 > 1 > 13.596673479080273 > 8.968458213956543 > 45.59000000000001 > 87.02309999999999 > 6 > 1 > 6.82e-01 g/l > tetrahydrofolic acid > 0 $$$$