162056 -OEChem-10051722043D 59 61 0 1 0 0 0 0 0999 V2000 -3.7899 -2.7758 0.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 -0.1227 -0.4364 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.8807 -0.5920 0.0722 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4982 -0.9611 -0.1418 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9541 -0.4098 -1.4749 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8561 -0.7134 0.8396 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6472 -0.4515 1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 -0.6461 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 -0.2122 -0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -1.0305 -2.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.2020 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 0.3772 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2207 0.8263 0.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9262 -1.5502 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 0.3113 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3235 -0.9609 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1870 1.4261 1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5483 1.4559 -1.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3964 -2.0263 0.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6880 -0.8072 0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 1.3699 -0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 2.7810 1.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8726 2.8109 -0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8541 3.4735 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0681 -0.8683 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0180 1.3086 -0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.1894 -0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 -2.0560 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0954 0.6764 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3104 -0.1718 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.6338 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -0.8976 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -1.7135 -1.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 -0.1347 -2.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 0.3537 -1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -1.2477 -0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7462 -0.9292 -2.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3183 -0.5578 -3.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4391 -2.1015 -2.7575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -2.3786 1.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7944 -2.5587 1.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 -2.8311 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -0.1536 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 1.4194 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5758 -0.3635 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -0.3233 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 0.8885 2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 0.9535 -1.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3790 -1.5607 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1995 -2.6487 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4385 -2.6831 -0.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 -1.6378 1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0896 2.2449 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5009 3.2959 2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1456 3.3488 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1089 4.5280 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 -1.7400 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5359 2.1318 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8076 0.1416 -0.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 15 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 22 1 0 0 0 0 17 47 1 0 0 0 0 18 23 2 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 25 1 0 0 0 0 20 52 1 0 0 0 0 21 26 2 0 0 0 0 21 53 1 0 0 0 0 22 24 2 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 25 27 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 M END > DB09178 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ODPKHHGQKIYCTJ-UHFFFAOYSA-N/SDF?record_type=3d > CCC(=O)N(C1CC(C)N(CCC2=CC=CC=C2)CC1C)C1=CC=CC=C1 > InChI=1S/C24H32N2O/c1-4-24(27)26(22-13-9-6-10-14-22)23-17-20(3)25(18-19(23)2)16-15-21-11-7-5-8-12-21/h5-14,19-20,23H,4,15-18H2,1-3H3 > ODPKHHGQKIYCTJ-UHFFFAOYSA-N > C24H32N2O > 364.533 > 364.251463658 > 2 > 59 > 43.45818218202394 > 1 > 0 > 0 > 1 > N-[2,5-dimethyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide > 4.74 > 4.711397132333332 > -4.62 > 1 > 3 > 1 > 9.32137334671672 > 23.550000000000004 > 112.31770000000004 > 6 > 1 > 8.66e-03 g/l > phenaridine > 1 $$$$