60728 -OEChem-10051722043D 65 68 0 0 0 0 0 0 0999 V2000 2.5901 -2.6820 -1.3720 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 1.5879 -2.0887 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4938 0.9078 -1.4367 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -0.6188 0.1444 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -0.0529 -0.4258 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -1.0820 -0.3171 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6458 -1.9748 0.4323 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9902 -0.4263 -0.2082 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8542 -1.5898 0.4962 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.3645 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.6139 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 0.1589 -1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -0.4191 1.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 0.3069 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 1.8157 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6908 -0.4791 0.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4918 -1.2008 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6536 0.6100 -1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 2.8784 -0.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 2.0670 1.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5276 -1.1835 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -0.0058 -1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5601 4.1922 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 3.3808 2.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 -2.4865 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 -1.0101 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 4.4434 1.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 0.7493 -2.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8825 -3.5811 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8163 -2.1047 2.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7667 -0.0635 -0.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6352 -3.3901 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2543 0.2511 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4452 1.2508 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5808 -0.5852 1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -1.6542 0.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -0.8572 -1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8574 0.8130 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7453 -1.1605 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6408 0.5708 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0884 1.3455 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 0.1005 -1.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 -0.9550 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9845 0.5736 0.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2406 2.7432 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 1.2820 2.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2704 -2.2473 -0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -0.7421 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8855 -1.0371 -2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6239 -0.0012 -0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 5.0202 -0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 3.5772 3.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 -0.0129 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 5.4663 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7614 0.2784 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9604 1.7891 -2.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 0.7562 -3.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7415 -4.5818 -0.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4032 -1.9559 2.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0805 -4.2424 2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2790 0.7779 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0563 -0.4945 -0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4233 0.7549 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6526 2.0066 0.7994 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4071 1.7624 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 18 2 0 0 0 0 3 31 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 25 1 0 0 0 0 17 26 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 28 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 27 2 0 0 0 0 23 51 1 0 0 0 0 24 27 1 0 0 0 0 24 52 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 32 1 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > DB09181 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RJSCINHYBGMIFT-UHFFFAOYSA-N/SDF?record_type=3d > CCN1N=NN(CCN2CCC(CC2)(N(C(=O)CC)C2=CC=CC=C2F)C2=CC=CC=C2)C1=O > InChI=1S/C25H31FN6O2/c1-3-23(33)32(22-13-9-8-12-21(22)26)25(20-10-6-5-7-11-20)14-16-29(17-15-25)18-19-31-24(34)30(4-2)27-28-31/h5-13H,3-4,14-19H2,1-2H3 > RJSCINHYBGMIFT-UHFFFAOYSA-N > C25H31FN6O2 > 466.561 > 466.249252425 > 5 > 65 > 49.61323140318135 > 1 > 0 > 0 > 0 > N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-phenylpiperidin-4-yl}-N-(2-fluorophenyl)propanamide > 3.72 > 4.721524320333334 > -4.25 > 1 > 4 > 1 > 7.58581249148977 > 71.82000000000001 > 132.3775 > 8 > 1 > 2.61e-02 g/l > trefentanil > 0 $$$$