65866 -OEChem-08132011363D 86 89 0 1 0 0 0 0 0999 V2000 0.5705 -1.8250 0.2342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3293 -2.4136 -1.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 2.6097 1.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2366 3.8615 0.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -1.5636 1.2526 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6338 -1.4891 2.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -3.5448 -0.0930 N 0 0 1 0 0 0 0 0 0 0 0 0 0.4245 1.8634 -2.2943 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2107 -1.2657 1.4422 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4433 -3.2047 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -3.8234 -0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3211 -2.2001 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5638 -1.7146 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0131 -0.2975 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 0.6461 -0.2593 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8321 -3.8424 0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0747 -3.2678 2.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.1429 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8265 -4.5425 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 -0.0187 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1264 0.8202 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7989 2.1620 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -1.5978 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3929 0.4811 -2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4199 0.2805 -0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 2.6976 -1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2035 0.8496 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9684 1.9959 -0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1142 -0.6317 1.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4724 0.6680 1.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 -0.2033 -3.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 -0.3171 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0410 0.5386 -1.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 2.9916 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 4.1691 -1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4786 -0.6569 0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5497 1.1046 -0.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 3.0194 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4605 -0.3767 1.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 1.6916 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 0.1989 -1.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1782 0.4915 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 2.8673 1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 -0.3988 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 3.3307 2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -4.9093 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 -3.6436 -1.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -1.4652 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4852 -2.1699 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4271 -1.8196 1.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 -2.3986 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 -0.2926 -1.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 0.3727 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 -4.0576 -0.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5958 -3.2007 0.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -4.8053 1.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 -4.2951 2.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 -2.6464 2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -2.8670 2.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -5.5501 -0.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 -4.5272 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 -4.4088 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1116 2.2972 -3.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7347 1.3274 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4607 2.1287 -1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5835 -1.2972 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5802 -0.2121 2.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -0.0239 -4.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5351 -1.2839 -3.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4784 0.1954 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 -0.5104 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5046 1.0029 -2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 4.3801 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 4.7770 -0.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 4.5054 -2.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1093 1.7788 -1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0433 3.9384 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 -0.8504 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 1.5762 2.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8641 0.3998 -2.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2263 0.6905 0.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 3.6668 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1416 -0.6497 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 2.9377 3.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1861 4.3943 2.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 3.1836 3.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 23 2 0 0 0 0 3 34 1 0 0 0 0 3 45 1 0 0 0 0 4 34 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 8 24 1 0 0 0 0 8 26 1 0 0 0 0 8 63 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 52 1 0 0 0 0 15 18 1 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 27 2 0 0 0 0 20 29 1 0 0 0 0 21 28 2 0 0 0 0 21 30 1 0 0 0 0 22 26 2 0 0 0 0 22 34 1 0 0 0 0 24 31 1 0 0 0 0 25 32 2 0 0 0 0 25 33 1 0 0 0 0 26 35 1 0 0 0 0 27 37 1 0 0 0 0 27 64 1 0 0 0 0 28 38 1 0 0 0 0 28 65 1 0 0 0 0 29 39 2 0 0 0 0 29 66 1 0 0 0 0 30 40 2 0 0 0 0 30 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 36 1 0 0 0 0 32 71 1 0 0 0 0 33 41 2 0 0 0 0 33 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 35 75 1 0 0 0 0 36 44 2 0 0 0 0 37 42 2 0 0 0 0 37 76 1 0 0 0 0 38 43 2 0 0 0 0 38 77 1 0 0 0 0 39 42 1 0 0 0 0 39 78 1 0 0 0 0 40 43 1 0 0 0 0 40 79 1 0 0 0 0 41 44 1 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 M CHG 2 5 -1 9 1 M END > DB00528 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZDXUKAKRHYTAKV-UHFFFAOYSA-N/SDF?record_type=3d > COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC(C)(C)CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30,33,37H,20-21,23H2,1-6H3 > ZDXUKAKRHYTAKV-UHFFFAOYSA-N > C36H41N3O6 > 611.7272 > 611.299536059 > 6 > 86 > 0.9956842846463705 > 66.20148800466296 > 0 > 1 > 0 > 0 > 3-{1-[(3,3-diphenylpropyl)(methyl)amino]-2-methylpropan-2-yl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 6.42 > 6.409816553333332 > -6.59 > 1 > 1 > 4 > 1 > 16.96478129121866 > 9.363068859812048 > 111.00999999999999 > 176.84879999999984 > 14 > 0 > 1.56e-04 g/l > unii-71TH42O2CQ > 0 $$$$