2540 -OEChem-10211718313D 79 84 0 1 0 0 0 0 0999 V2000 2.7308 2.3318 -0.1737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5509 2.6908 -0.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8409 3.2865 1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8239 2.6116 -0.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 -2.7073 0.6851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 3.0459 1.8079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8587 -0.3840 0.5636 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5215 -1.2275 -0.6463 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -3.4202 1.1703 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6127 -3.9552 0.0182 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7402 -4.3685 1.7528 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6196 -4.7169 1.1053 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0328 2.3863 0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0712 2.5815 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2947 1.1110 1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4919 2.5488 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 1.0780 1.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 1.2756 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 2.8183 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3992 0.6818 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -0.3556 1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6432 3.1545 0.5758 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4352 0.1294 -0.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 2.0402 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5628 -1.5012 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -0.5671 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2097 0.9672 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 2.6212 0.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 2.8593 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 -0.7573 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2425 -0.5724 1.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 4.6707 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 2.3344 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 -0.9578 -0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2056 -0.9525 -1.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -0.7678 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2464 -1.1593 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0875 -3.8207 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0841 -2.2314 -0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -0.2484 -2.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 -2.3926 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5744 -5.0771 0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 -0.4097 -2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7407 -3.1927 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 -1.4817 -2.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 3.2527 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 1.8058 -1.4684 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 3.5328 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5749 1.0249 2.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 0.2349 0.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6538 3.4234 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2109 2.6198 -0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8918 0.1218 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 1.8651 2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7557 1.3161 1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 0.4110 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7573 0.5699 2.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8942 -1.1700 2.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 2.8396 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0245 0.5690 -2.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6577 3.9267 -1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -0.7677 -1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2467 -0.4204 2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4974 2.9962 -2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 5.1396 0.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 5.0978 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6785 4.9612 -0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2137 -1.1055 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8854 -0.7524 1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 -3.9262 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1346 -3.6529 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 0.5990 -2.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -3.2226 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1583 -5.9498 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6255 -4.9806 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 -5.2479 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1066 0.3006 -3.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 -1.6065 -3.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0066 -4.7967 2.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 28 1 0 0 0 0 5 25 1 0 0 0 0 5 38 1 0 0 0 0 6 28 2 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 8 23 1 0 0 0 0 8 25 2 0 0 0 0 9 11 1 0 0 0 0 9 44 2 0 0 0 0 10 12 2 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 79 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 26 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 32 1 0 0 0 0 22 59 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 33 1 0 0 0 0 27 60 1 0 0 0 0 29 33 2 0 0 0 0 29 61 1 0 0 0 0 30 35 1 0 0 0 0 30 62 1 0 0 0 0 31 36 2 0 0 0 0 31 63 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 64 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 42 1 0 0 0 0 38 70 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 44 1 0 0 0 0 40 43 1 0 0 0 0 40 72 1 0 0 0 0 41 45 1 0 0 0 0 41 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 43 45 2 0 0 0 0 43 77 1 0 0 0 0 45 78 1 0 0 0 0 M END > DB00796 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GHOSNRCGJFBJIB-UHFFFAOYSA-N/SDF?record_type=3d > CCOC1=NC2=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NN=NN1)C(=CC=C2)C(=O)OC(C)OC(=O)OC1CCCCC1 > InChI=1S/C33H34N6O6/c1-3-42-32-34-28-15-9-14-27(31(40)43-21(2)44-33(41)45-24-10-5-4-6-11-24)29(28)39(32)20-22-16-18-23(19-17-22)25-12-7-8-13-26(25)30-35-37-38-36-30/h7-9,12-19,21,24H,3-6,10-11,20H2,1-2H3,(H,35,36,37,38) > GHOSNRCGJFBJIB-UHFFFAOYSA-N > C33H34N6O6 > 610.671 > 610.253982839 > 8 > 79 > 63.942338759155724 > 0 > 1 > 0 > 0 > 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate > 5.12 > 7.531521166999999 > -5.48 > 1 > 6 > -1 > 4.232905858859157 > 1.453942849211009 > 143.33999999999997 > 177.41999999999996 > 13 > 0 > 2.04e-03 g/l > 1-{[(cyclohexyloxy)carbonyl]oxy}ethyl 2-ethoxy-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1,3-benzodiazole-4-carboxylate > 0 $$$$