42553 -OEChem-10061700253D 51 54 0 1 0 0 0 0 0999 V2000 0.3552 -0.0451 -1.7397 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 1.1055 -0.2315 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.0901 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 0.1438 0.4221 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0507 1.4054 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -1.1146 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3503 -0.9011 1.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0467 0.0142 -0.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 0.1799 -1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0414 0.4423 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 1.2665 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8569 -1.2632 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 1.4427 -0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3836 -1.4650 1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 2.1592 0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -2.1520 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8202 2.5852 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 -2.6302 1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 0.4624 -1.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -0.4888 2.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 3.3015 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -3.3172 -0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 3.5145 0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 -3.5562 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -2.0317 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1174 0.2209 1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6627 1.9122 -0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 2.1667 0.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 -1.3269 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4962 -1.9544 -1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0689 -1.7228 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9883 -0.9231 2.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6355 -0.0519 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2131 0.6785 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 1.1055 1.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 0.2845 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 0.8495 -2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3051 2.0277 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -2.0242 -2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7364 2.7654 -1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 -2.8350 2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2807 0.9254 -2.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 0.1707 -2.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 -0.4000 -1.4308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7128 -0.8877 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1821 -0.3847 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 0.4511 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 4.0090 1.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -4.0397 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0188 4.3996 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 -4.4636 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 37 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 24 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 2 0 0 0 0 21 48 1 0 0 0 0 22 24 2 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 M END > DB13566 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OXDOWGVJMITMJL-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=CC=C1C(O)(C1CN2CCC1CC2)C1=CC=CC=C1C > InChI=1S/C22H27NO/c1-16-7-3-5-9-19(16)22(24,20-10-6-4-8-17(20)2)21-15-23-13-11-18(21)12-14-23/h3-10,18,21,24H,11-15H2,1-2H3 > OXDOWGVJMITMJL-UHFFFAOYSA-N > C22H27NO > 321.464 > 321.209264493 > 2 > 51 > 36.89159929793372 > 1 > 1 > 0 > 1 > {1-azabicyclo[2.2.2]octan-3-yl}bis(2-methylphenyl)methanol > 4.13 > 4.144477939000001 > -4.48 > 0 > 4 > 1 > 13.193297793604668 > 8.945612733336775 > 23.47 > 100.31699999999998 > 3 > 1 > 1.06e-02 g/l > 1-azabicyclo[2.2.2]octan-3-ylbis(2-methylphenyl)methanol > 1 $$$$