51263 -OEChem-01081909053D 62 64 0 0 0 0 0 0 0999 V2000 2.4771 -1.4775 2.1926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -2.4516 -1.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 0.6059 1.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 -0.3325 -0.7195 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1655 -0.4005 -0.2803 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 0.6047 -0.6537 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4298 0.4731 -1.7546 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6803 0.3517 -0.0119 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6333 0.3246 -1.3778 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -0.8370 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9919 0.3536 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1595 -1.3177 -1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 0.0760 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3507 -1.5409 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8691 -1.9762 1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 -0.5435 -0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 0.9792 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1569 -1.2654 -0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2045 0.7910 -0.6831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5403 -0.6449 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3761 1.9629 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 1.3173 1.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 -2.4765 3.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5516 -1.6145 -1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 3.2846 -0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 2.6390 1.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 0.5312 0.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2197 3.6227 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9176 0.2070 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2121 -1.2459 1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3173 0.6593 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0759 1.2325 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3406 -0.5760 -2.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -2.2511 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 1.0005 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 -0.6842 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5592 -2.3991 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 -1.7984 -2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -2.3370 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4314 -2.8410 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7637 -1.1429 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8072 -1.1108 -1.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9425 1.4049 0.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 1.3609 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9142 -0.3182 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 0.2187 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9909 1.7099 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1579 0.5620 2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 -2.0298 4.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 -3.3099 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -2.8349 3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 -1.1278 -1.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6799 -2.4915 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2299 -1.9643 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6049 4.0502 -1.4442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 2.9019 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 4.6516 0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7248 0.6485 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8352 0.7665 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2987 -1.8346 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4136 -1.6891 1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1514 -1.3357 1.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 18 2 0 0 0 0 3 27 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 19 1 0 0 0 0 6 27 1 0 0 0 0 7 9 2 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 29 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 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > DB00802 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IDBPHNDTYPBSNI-UHFFFAOYSA-N/SDF?record_type=3d > CCN1N=NN(CCN2CCC(COC)(CC2)N(C(=O)CC)C2=CC=CC=C2)C1=O > InChI=1S/C21H32N6O3/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26/h6-10H,4-5,11-17H2,1-3H3 > IDBPHNDTYPBSNI-UHFFFAOYSA-N > C21H32N6O3 > 416.5172 > 416.25358892 > 6 > 62 > 45.55814916238788 > 1 > 0 > 0 > 1 > N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide > 2.20 > 2.8073737583333327 > -3.22 > 1 > 3 > 1 > 7.504330578680922 > 81.05000000000001 > 118.59200000000001 > 9 > 1 > 2.52e-01 g/l > alfentanil > 0 $$$$