1415427 -OEChem-10051720563D 45 47 0 0 0 0 0 0 0999 V2000 2.8683 2.7165 0.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 1.4736 -0.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 1.0844 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1219 2.3942 0.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 -0.0890 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0919 2.6309 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.2049 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9994 0.8168 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0094 -0.1211 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 1.6467 -0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1956 0.4601 -0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0682 0.3934 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 -1.4899 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0051 -0.4763 -0.8206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8073 -2.3597 0.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 0.0639 -1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3397 -0.2626 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8746 -1.8529 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6908 -1.0625 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 -1.3889 1.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -1.7888 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 -2.9938 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 1.2013 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7941 2.3529 1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 3.2418 0.3943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.0072 -0.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -0.2786 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 2.7833 -1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 3.5358 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 -0.6299 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0403 0.3024 -1.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 1.7574 1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6407 0.4235 2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1781 1.4636 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 -1.8975 1.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8357 -0.0819 -1.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7072 -3.4314 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7609 0.6233 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8171 0.0409 2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6042 -2.5302 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2132 -1.3633 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -1.9455 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -3.4961 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -2.7062 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -3.7255 0.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 2 0 0 0 0 13 35 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 M END > DB07123 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DVOLWKZEIDCCES-UHFFFAOYSA-N/SDF?record_type=3d > CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1 > InChI=1S/C20H23NO/c1-16-7-9-19(10-8-16)20(22)21-13-11-18(12-14-21)15-17-5-3-2-4-6-17/h2-10,18H,11-15H2,1H3 > DVOLWKZEIDCCES-UHFFFAOYSA-N > C20H23NO > 293.4027 > 293.177964363 > 1 > 45 > 1.2421947240985964e-08 > 34.71528509860019 > 1 > 0 > 0 > 1 > 4-benzyl-1-(4-methylbenzoyl)piperidine > 4.49 > 4.5004174966666675 > -4.97 > 0 > 0 > 3 > 0 > -0.9058103142454614 > 20.310000000000002 > 91.3576 > 3 > 1 > 3.14e-03 g/l > tetrahydrofolic acid > 1 $$$$