2381 -OEChem-01081909103D 52 55 0 1 0 0 0 0 0999 V2000 1.6293 -0.0596 -1.6752 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 -0.8069 0.1897 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -0.7682 0.5862 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7051 -2.2838 0.2558 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8657 -1.7819 0.5274 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1756 -0.4119 0.7181 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8507 -2.7296 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 0.0927 -0.4255 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3857 -2.4990 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 -2.1924 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 -0.4333 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 1.5979 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4691 -0.2883 0.5297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9638 2.0099 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8562 2.4722 -1.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -0.0486 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6757 -0.7740 1.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 -0.6097 -1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0509 -1.3587 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6927 -0.6415 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 3.3790 1.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8497 3.8412 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 4.2945 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -0.6820 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7793 -2.8418 0.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 -1.8620 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3715 -0.0355 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5469 0.3377 0.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 -3.7903 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -2.5147 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -2.8021 -1.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4414 -2.1961 -1.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 0.1346 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5035 -1.4746 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5437 0.7576 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 -0.8623 1.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 0.5048 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -0.1242 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4661 1.0160 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 0.2522 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2371 -1.3680 2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 1.3335 2.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 2.1469 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1667 -0.0009 -2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6151 -1.6253 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9506 -2.4268 0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 -1.2816 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9503 0.3845 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -1.1410 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9910 3.7324 2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7997 4.5543 -1.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8924 5.3603 0.6038 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 13 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 21 1 0 0 0 0 14 42 1 0 0 0 0 15 22 2 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 23 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 M END > DB00810 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YSXKPIUOCJLQIE-UHFFFAOYSA-N/SDF?record_type=3d > OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1=CC=CC=C1 > InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2 > YSXKPIUOCJLQIE-UHFFFAOYSA-N > C21H29NO > 311.4611 > 311.224914555 > 2 > 52 > 36.87896131605011 > 1 > 1 > 0 > 1 > 1-{bicyclo[2.2.1]hept-5-en-2-yl}-1-phenyl-3-(piperidin-1-yl)propan-1-ol > 4.28 > 3.5365074619999994 > -4.86 > 0 > 4 > 1 > 13.820096784776485 > 9.297995719799305 > 23.47 > 97.0158 > 5 > 1 > 4.26e-03 g/l > biperiden > 1 $$$$