130881 -OEChem-10051722213D 71 75 0 0 0 0 0 0 0999 V2000 5.0711 0.6142 0.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 1.1952 -0.9289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 -0.0679 -2.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6233 4.2961 -0.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4934 5.1313 0.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3489 6.1860 0.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2120 -0.7012 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0823 -2.3328 1.1452 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7008 -0.2390 2.8910 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 0.9803 1.3882 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 0.2622 3.3717 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8246 0.9911 2.5159 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.1817 1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3804 -1.1269 0.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6104 -1.0752 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1619 -2.9484 0.3433 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 -2.5087 -1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5716 -4.2787 0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 0.8874 2.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4678 -0.8815 1.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 -2.0213 -1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6246 -5.3239 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 0.0263 -1.5256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8443 -0.7325 -1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 -2.8588 -0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 -5.5562 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 -1.1191 -0.8563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -0.2815 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6389 -2.4077 -0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3619 -0.6518 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 2.3387 -1.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 -0.0014 0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3707 -0.8654 -1.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 3.5209 -0.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 0.4352 0.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6697 -0.4289 -1.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 0.2378 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4426 3.9931 -0.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 0.2214 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 3.5110 -1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 5.2731 0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 -3.5817 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -2.0448 -2.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0388 -4.6916 -0.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 -4.1845 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 1.5097 1.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 0.4101 2.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 1.5660 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 -0.1573 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 -1.5746 1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -1.4489 2.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1144 -6.2705 1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -5.0119 1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 1.2172 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -0.0719 -2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0776 -3.8700 -0.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 -4.6631 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 -6.3608 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2083 -5.8487 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 0.7224 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -3.0745 0.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 2.5374 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 2.1397 -2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1642 -1.3704 -2.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1984 0.9473 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4552 -0.5951 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9714 0.5620 0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 4.2954 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 2.6371 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4912 3.2362 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2557 0.0986 4.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 54 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 23 2 0 0 0 0 4 34 1 0 0 0 0 4 41 1 0 0 0 0 5 38 1 0 0 0 0 5 41 1 0 0 0 0 6 41 2 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 14 1 0 0 0 0 8 16 2 0 0 0 0 9 11 1 0 0 0 0 9 37 2 0 0 0 0 10 12 2 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 71 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 15 23 1 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 24 28 1 0 0 0 0 24 55 1 0 0 0 0 25 29 2 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 1 0 0 0 0 30 33 2 0 0 0 0 31 34 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 35 2 0 0 0 0 32 37 1 0 0 0 0 33 36 1 0 0 0 0 33 64 1 0 0 0 0 34 38 2 0 0 0 0 35 39 1 0 0 0 0 35 65 1 0 0 0 0 36 39 2 0 0 0 0 36 66 1 0 0 0 0 38 40 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 M END > DBSALT001815 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UQGKUQLKSCSZGY-UHFFFAOYSA-N/SDF?record_type=3d > CCCC1=NC(=C(N1CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NN=NN1)C(=O)OCC1=C(C)OC(=O)O1)C(C)(C)O > InChI=1S/C29H30N6O6/c1-5-8-23-30-25(29(3,4)38)24(27(36)39-16-22-17(2)40-28(37)41-22)35(23)15-18-11-13-19(14-12-18)20-9-6-7-10-21(20)26-31-33-34-32-26/h6-7,9-14,38H,5,8,15-16H2,1-4H3,(H,31,32,33,34) > UQGKUQLKSCSZGY-UHFFFAOYSA-N > C29H30N6O6 > 558.595 > 558.22268271 > 8 > 71 > 57.30440423617439 > 0 > 2 > 0 > 0 > (5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylate > 3.97 > 4.45833558883777 > -4.88 > 1 > 5 > -1 > 13.716032097352553 > 4.269276492191968 > 3.8889803770494997 > 154.34 > 163.45839999999995 > 11 > 0 > 7.42e-03 g/l > (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}imidazole-4-carboxylate > 0 $$$$