data_2FJ # _chem_comp.id 2FJ _chem_comp.name "tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+) L enantiomer" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C64 H44 N14 Ru2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 4 _chem_comp.pdbx_initial_date 2013-10-08 _chem_comp.pdbx_modified_date 2013-10-25 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 1211.268 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 2FJ _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag Y _chem_comp.pdbx_model_coordinates_db_code 2MCO _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal 2FJ C1 C1 C 0 1 Y N N 38.365 25.235 26.017 ? ? ? C1 2FJ 1 2FJ N1 N1 N 0 1 Y N N 39.425 25.131 26.894 ? ? ? N1 2FJ 2 2FJ C2 C2 C 0 1 Y N N 37.333 24.290 26.080 ? ? ? C2 2FJ 3 2FJ N2 N2 N 0 1 Y N N 41.231 25.215 28.831 ? ? ? N2 2FJ 4 2FJ C3 C3 C 0 1 Y N N 37.425 23.180 26.985 ? ? ? C3 2FJ 5 2FJ N3 N3 N 0 1 Y N N 40.590 27.569 25.348 ? ? ? N3 2FJ 6 2FJ C4 C4 C 0 1 Y N N 38.461 23.087 27.839 ? ? ? C4 2FJ 7 2FJ N4 N4 N 0 1 Y N N 42.251 25.699 25.908 ? ? ? N4 2FJ 8 2FJ C5 C5 C 0 1 Y N N 39.440 24.087 27.761 ? ? ? C5 2FJ 9 2FJ N5 N5 N 0 1 Y N N 42.217 28.012 27.775 ? ? ? N5 2FJ 10 2FJ C6 C6 C 0 1 Y N N 38.530 22.087 28.814 ? ? ? C6 2FJ 11 2FJ N6 N6 N 0 1 Y N N 39.600 27.831 28.317 ? ? ? N6 2FJ 12 2FJ C7 C7 C 0 1 Y N N 42.136 25.291 29.839 ? ? ? C7 2FJ 13 2FJ N7 N7 N 0 1 Y N N 35.537 17.369 31.082 ? ? ? N7 2FJ 14 2FJ C8 C8 C 0 1 Y N N 42.301 24.255 30.726 ? ? ? C8 2FJ 15 2FJ N8 N8 N 0 1 Y N N 37.562 21.080 28.764 ? ? ? N8 2FJ 16 2FJ C9 C9 C 0 1 Y N N 41.521 23.144 30.654 ? ? ? C9 2FJ 17 2FJ N9 N9 N 0 1 Y N N 37.534 17.206 32.773 ? ? ? N9 2FJ 18 2FJ C10 C10 C 0 1 Y N N 40.510 23.078 29.698 ? ? ? C10 2FJ 19 2FJ N10 N10 N 0 1 Y N N 39.643 20.894 30.597 ? ? ? N10 2FJ 20 2FJ C11 C11 C 0 1 Y N N 40.407 24.157 28.810 ? ? ? C11 2FJ 21 2FJ N11 N11 N 0 1 Y N N 33.713 15.620 32.667 ? ? ? N11 2FJ 22 2FJ C12 C12 C 0 1 Y N N 39.638 22.001 29.732 ? ? ? C12 2FJ 23 2FJ N12 N12 N 0 1 Y N N 34.789 17.754 33.956 ? ? ? N12 2FJ 24 2FJ C13 C13 C 0 1 Y N N 39.729 28.629 25.121 ? ? ? C13 2FJ 25 2FJ N13 N13 N 0 1 Y N N 36.490 14.584 31.850 ? ? ? N13 2FJ 26 2FJ C14 C14 C 0 1 Y N N 39.658 29.393 23.944 ? ? ? C14 2FJ 27 2FJ N14 N14 N 0 1 Y N N 36.282 14.995 34.427 ? ? ? N14 2FJ 28 2FJ C15 C15 C 0 1 Y N N 40.673 29.212 22.986 ? ? ? C15 2FJ 29 2FJ C16 C16 C 0 1 Y N N 41.573 28.121 23.178 ? ? ? C16 2FJ 30 2FJ C17 C17 C 0 1 Y N N 41.450 27.320 24.347 ? ? ? C17 2FJ 31 2FJ C18 C18 C 0 1 Y N N 43.169 24.754 26.318 ? ? ? C18 2FJ 32 2FJ C19 C19 C 0 1 Y N N 44.129 24.236 25.448 ? ? ? C19 2FJ 33 2FJ C20 C20 C 0 1 Y N N 44.301 24.743 24.216 ? ? ? C20 2FJ 34 2FJ C21 C21 C 0 1 Y N N 43.557 25.847 23.835 ? ? ? C21 2FJ 35 2FJ C22 C22 C 0 1 Y N N 42.467 26.216 24.710 ? ? ? C22 2FJ 36 2FJ C23 C23 C 0 1 Y N N 43.530 28.065 27.427 ? ? ? C23 2FJ 37 2FJ C24 C24 C 0 1 Y N N 44.330 29.118 27.851 ? ? ? C24 2FJ 38 2FJ C25 C25 C 0 1 Y N N 43.817 30.271 28.521 ? ? ? C25 2FJ 39 2FJ C26 C26 C 0 1 Y N N 42.470 30.212 28.846 ? ? ? C26 2FJ 40 2FJ C27 C27 C 0 1 Y N N 41.690 29.107 28.407 ? ? ? C27 2FJ 41 2FJ C28 C28 C 0 1 Y N N 38.283 27.612 28.657 ? ? ? C28 2FJ 42 2FJ C29 C29 C 0 1 Y N N 37.522 28.544 29.424 ? ? ? C29 2FJ 43 2FJ C30 C30 C 0 1 Y N N 38.211 29.599 30.029 ? ? ? C30 2FJ 44 2FJ C31 C31 C 0 1 Y N N 39.508 29.876 29.668 ? ? ? C31 2FJ 45 2FJ C32 C32 C 0 1 Y N N 40.184 28.951 28.822 ? ? ? C32 2FJ 46 2FJ C33 C33 C 0 1 Y N N 34.442 17.325 30.220 ? ? ? C33 2FJ 47 2FJ C34 C34 C 0 1 Y N N 34.442 18.181 29.141 ? ? ? C34 2FJ 48 2FJ C35 C35 C 0 1 Y N N 35.405 19.166 29.011 ? ? ? C35 2FJ 49 2FJ C36 C36 C 0 1 Y N N 36.592 19.153 29.808 ? ? ? C36 2FJ 50 2FJ C37 C37 C 0 1 Y N N 36.575 18.180 30.839 ? ? ? C37 2FJ 51 2FJ C38 C38 C 0 1 Y N N 37.617 20.067 29.649 ? ? ? C38 2FJ 52 2FJ C39 C39 C 0 1 Y N N 38.510 17.214 33.748 ? ? ? C39 2FJ 53 2FJ C40 C40 C 0 1 Y N N 39.588 18.082 33.578 ? ? ? C40 2FJ 54 2FJ C41 C41 C 0 1 Y N N 39.702 19.030 32.534 ? ? ? C41 2FJ 55 2FJ C42 C42 C 0 1 Y N N 38.740 18.959 31.593 ? ? ? C42 2FJ 56 2FJ C43 C43 C 0 1 Y N N 37.644 18.088 31.770 ? ? ? C43 2FJ 57 2FJ C44 C44 C 0 1 Y N N 38.667 20.000 30.577 ? ? ? C44 2FJ 58 2FJ C45 C45 C 0 1 Y N N 33.243 14.435 32.201 ? ? ? C45 2FJ 59 2FJ C46 C46 C 0 1 Y N N 31.887 14.020 32.330 ? ? ? C46 2FJ 60 2FJ C47 C47 C 0 1 Y N N 31.000 14.958 32.896 ? ? ? C47 2FJ 61 2FJ C48 C48 C 0 1 Y N N 31.396 16.284 33.231 ? ? ? C48 2FJ 62 2FJ C49 C49 C 0 1 Y N N 32.760 16.542 33.135 ? ? ? C49 2FJ 63 2FJ C50 C50 C 0 1 Y N N 35.306 18.839 34.586 ? ? ? C50 2FJ 64 2FJ C51 C51 C 0 1 Y N N 34.556 19.879 35.022 ? ? ? C51 2FJ 65 2FJ C52 C52 C 0 1 Y N N 33.182 19.848 34.939 ? ? ? C52 2FJ 66 2FJ C53 C53 C 0 1 Y N N 32.627 18.778 34.236 ? ? ? C53 2FJ 67 2FJ C54 C54 C 0 1 Y N N 33.428 17.720 33.810 ? ? ? C54 2FJ 68 2FJ C55 C55 C 0 1 Y N N 36.658 14.415 30.515 ? ? ? C55 2FJ 69 2FJ C56 C56 C 0 1 Y N N 37.237 13.277 29.944 ? ? ? C56 2FJ 70 2FJ C57 C57 C 0 1 Y N N 37.583 12.254 30.767 ? ? ? C57 2FJ 71 2FJ C58 C58 C 0 1 Y N N 37.475 12.292 32.138 ? ? ? C58 2FJ 72 2FJ C59 C59 C 0 1 Y N N 36.954 13.532 32.645 ? ? ? C59 2FJ 73 2FJ C60 C60 C 0 1 Y N N 36.008 15.251 35.725 ? ? ? C60 2FJ 74 2FJ C61 C61 C 0 1 Y N N 36.179 14.331 36.751 ? ? ? C61 2FJ 75 2FJ C62 C62 C 0 1 Y N N 36.725 13.069 36.450 ? ? ? C62 2FJ 76 2FJ C63 C63 C 0 1 Y N N 37.028 12.798 35.118 ? ? ? C63 2FJ 77 2FJ C64 C64 C 0 1 Y N N 36.750 13.760 34.148 ? ? ? C64 2FJ 78 2FJ RU1 RU1 RU 2 0 N N N 40.887 26.565 27.198 ? ? ? RU1 2FJ 79 2FJ RU2 RU2 RU 2 0 N N N 35.694 16.261 32.822 ? ? ? RU2 2FJ 80 2FJ H1 H1 H 0 1 N N N 38.331 26.034 25.292 ? ? ? H1 2FJ 81 2FJ H2 H2 H 0 1 N N N 36.466 24.397 25.446 ? ? ? H2 2FJ 82 2FJ H3 H3 H 0 1 N N N 36.661 22.417 26.981 ? ? ? H3 2FJ 83 2FJ H4 H4 H 0 1 N N N 42.737 26.182 29.946 ? ? ? H4 2FJ 84 2FJ H5 H5 H 0 1 N N N 43.061 24.324 31.491 ? ? ? H5 2FJ 85 2FJ H6 H6 H 0 1 N N N 41.684 22.319 31.332 ? ? ? H6 2FJ 86 2FJ H7 H7 H 0 1 N N N 39.051 28.892 25.920 ? ? ? H7 2FJ 87 2FJ H8 H8 H 0 1 N N N 38.853 30.094 23.780 ? ? ? H8 2FJ 88 2FJ H9 H9 H 0 1 N N N 40.767 29.874 22.138 ? ? ? H9 2FJ 89 2FJ H10 H10 H 0 1 N N N 42.337 27.907 22.446 ? ? ? H10 2FJ 90 2FJ H12 H12 H 0 1 N N N 44.746 23.411 25.772 ? ? ? H12 2FJ 91 2FJ H13 H13 H 0 1 N N N 45.009 24.296 23.533 ? ? ? H13 2FJ 92 2FJ H14 H14 H 0 1 N N N 43.779 26.401 22.935 ? ? ? H14 2FJ 93 2FJ H15 H15 H 0 1 N N N 43.954 27.282 26.816 ? ? ? H15 2FJ 94 2FJ H16 H16 H 0 1 N N N 45.392 29.063 27.665 ? ? ? H16 2FJ 95 2FJ H17 H17 H 0 1 N N N 44.433 31.126 28.757 ? ? ? H17 2FJ 96 2FJ H18 H18 H 0 1 N N N 42.016 31.000 29.429 ? ? ? H18 2FJ 97 2FJ H19 H19 H 0 1 N N N 37.808 26.699 28.330 ? ? ? H19 2FJ 98 2FJ H20 H20 H 0 1 N N N 36.453 28.438 29.533 ? ? ? H20 2FJ 99 2FJ H21 H21 H 0 1 N N N 37.723 30.199 30.783 ? ? ? H21 2FJ 100 2FJ H22 H22 H 0 1 N N N 40.001 30.771 30.017 ? ? ? H22 2FJ 101 2FJ H23 H23 H 0 1 N N N 33.622 16.643 30.392 ? ? ? H23 2FJ 102 2FJ H24 H24 H 0 1 N N N 33.678 18.082 28.384 ? ? ? H24 2FJ 103 2FJ H25 H25 H 0 1 N N N 35.257 19.960 28.294 ? ? ? H25 2FJ 104 2FJ H26 H26 H 0 1 N N N 38.442 16.571 34.613 ? ? ? H26 2FJ 105 2FJ H27 H27 H 0 1 N N N 40.394 18.027 34.295 ? ? ? H27 2FJ 106 2FJ H28 H28 H 0 1 N N N 40.500 19.756 32.494 ? ? ? H28 2FJ 107 2FJ H29 H29 H 0 1 N N N 33.935 13.771 31.705 ? ? ? H29 2FJ 108 2FJ H30 H30 H 0 1 N N N 31.557 13.042 32.012 ? ? ? H30 2FJ 109 2FJ H31 H31 H 0 1 N N N 29.979 14.659 33.083 ? ? ? H31 2FJ 110 2FJ H32 H32 H 0 1 N N N 30.686 17.038 33.539 ? ? ? H32 2FJ 111 2FJ H33 H33 H 0 1 N N N 36.373 18.875 34.748 ? ? ? H33 2FJ 112 2FJ H34 H34 H 0 1 N N N 35.044 20.747 35.442 ? ? ? H34 2FJ 113 2FJ H35 H35 H 0 1 N N N 32.567 20.611 35.393 ? ? ? H35 2FJ 114 2FJ H36 H36 H 0 1 N N N 31.569 18.770 34.020 ? ? ? H36 2FJ 115 2FJ H37 H37 H 0 1 N N N 36.326 15.203 29.856 ? ? ? H37 2FJ 116 2FJ H38 H38 H 0 1 N N N 37.404 13.214 28.879 ? ? ? H38 2FJ 117 2FJ H39 H39 H 0 1 N N N 37.968 11.351 30.316 ? ? ? H39 2FJ 118 2FJ H40 H40 H 0 1 N N N 37.756 11.466 32.775 ? ? ? H40 2FJ 119 2FJ H41 H41 H 0 1 N N N 35.633 16.231 35.980 ? ? ? H41 2FJ 120 2FJ H42 H42 H 0 1 N N N 35.898 14.580 37.764 ? ? ? H42 2FJ 121 2FJ H43 H43 H 0 1 N N N 36.903 12.337 37.224 ? ? ? H43 2FJ 122 2FJ H44 H44 H 0 1 N N N 37.473 11.854 34.840 ? ? ? H44 2FJ 123 2FJ H11 H11 H 0 1 N N N 43.144 24.406 27.340 ? ? ? H11 2FJ 124 # # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal 2FJ C15 C16 DOUB Y N 1 2FJ C15 C14 SING Y N 2 2FJ C16 C17 SING Y N 3 2FJ C21 C20 DOUB Y N 4 2FJ C21 C22 SING Y N 5 2FJ C14 C13 DOUB Y N 6 2FJ C20 C19 SING Y N 7 2FJ C17 C22 SING N N 8 2FJ C17 N3 DOUB Y N 9 2FJ C22 N4 DOUB Y N 10 2FJ C13 N3 SING Y N 11 2FJ C19 C18 DOUB Y N 12 2FJ N4 C18 SING Y N 13 2FJ C1 C2 DOUB Y N 14 2FJ C1 N1 SING Y N 15 2FJ C2 C3 SING Y N 16 2FJ N1 C5 DOUB Y N 17 2FJ C3 C4 DOUB Y N 18 2FJ C23 N5 DOUB Y N 19 2FJ C23 C24 SING Y N 20 2FJ C5 C4 SING Y N 21 2FJ C5 C11 SING Y N 22 2FJ N5 C27 SING Y N 23 2FJ C4 C6 SING Y N 24 2FJ C24 C25 DOUB Y N 25 2FJ N6 C28 DOUB Y N 26 2FJ N6 C32 SING Y N 27 2FJ C27 C32 SING N N 28 2FJ C27 C26 DOUB Y N 29 2FJ C25 C26 SING Y N 30 2FJ C28 C29 SING Y N 31 2FJ N8 C6 DOUB Y N 32 2FJ N8 C38 SING Y N 33 2FJ C11 N2 SING Y N 34 2FJ C11 C10 DOUB Y N 35 2FJ C6 C12 SING Y N 36 2FJ C32 C31 DOUB Y N 37 2FJ N2 C7 DOUB Y N 38 2FJ C35 C34 DOUB Y N 39 2FJ C35 C36 SING Y N 40 2FJ C34 C33 SING Y N 41 2FJ C29 C30 DOUB Y N 42 2FJ C38 C36 DOUB Y N 43 2FJ C38 C44 SING Y N 44 2FJ C31 C30 SING Y N 45 2FJ C10 C12 SING Y N 46 2FJ C10 C9 SING Y N 47 2FJ C12 N10 DOUB Y N 48 2FJ C36 C37 SING Y N 49 2FJ C7 C8 SING Y N 50 2FJ C56 C55 DOUB Y N 51 2FJ C56 C57 SING Y N 52 2FJ C33 N7 DOUB Y N 53 2FJ C55 N13 SING Y N 54 2FJ C44 N10 SING Y N 55 2FJ C44 C42 DOUB Y N 56 2FJ C9 C8 DOUB Y N 57 2FJ C57 C58 DOUB Y N 58 2FJ C37 N7 SING Y N 59 2FJ C37 C43 DOUB Y N 60 2FJ C42 C43 SING Y N 61 2FJ C42 C41 SING Y N 62 2FJ C43 N9 SING Y N 63 2FJ N13 C59 DOUB Y N 64 2FJ C58 C59 SING Y N 65 2FJ C45 C46 DOUB Y N 66 2FJ C45 N11 SING Y N 67 2FJ C46 C47 SING Y N 68 2FJ C41 C40 DOUB Y N 69 2FJ C59 C64 SING N N 70 2FJ N11 C49 DOUB Y N 71 2FJ N9 C39 DOUB Y N 72 2FJ C47 C48 DOUB Y N 73 2FJ C49 C48 SING Y N 74 2FJ C49 C54 SING N N 75 2FJ C40 C39 SING Y N 76 2FJ C54 N12 DOUB Y N 77 2FJ C54 C53 SING Y N 78 2FJ N12 C50 SING Y N 79 2FJ C64 N14 DOUB Y N 80 2FJ C64 C63 SING Y N 81 2FJ C53 C52 DOUB Y N 82 2FJ N14 C60 SING Y N 83 2FJ C50 C51 DOUB Y N 84 2FJ C52 C51 SING Y N 85 2FJ C63 C62 DOUB Y N 86 2FJ C60 C61 DOUB Y N 87 2FJ C62 C61 SING Y N 88 2FJ N7 RU2 SING N N 89 2FJ N1 RU1 SING N N 90 2FJ RU1 N5 SING N N 91 2FJ RU1 N4 SING N N 92 2FJ RU2 N12 SING N N 93 2FJ RU2 N13 SING N N 94 2FJ C1 H1 SING N N 95 2FJ C2 H2 SING N N 96 2FJ C3 H3 SING N N 97 2FJ C7 H4 SING N N 98 2FJ C8 H5 SING N N 99 2FJ C9 H6 SING N N 100 2FJ C13 H7 SING N N 101 2FJ C14 H8 SING N N 102 2FJ C15 H9 SING N N 103 2FJ C16 H10 SING N N 104 2FJ C19 H12 SING N N 105 2FJ C20 H13 SING N N 106 2FJ C21 H14 SING N N 107 2FJ C23 H15 SING N N 108 2FJ C24 H16 SING N N 109 2FJ C25 H17 SING N N 110 2FJ C26 H18 SING N N 111 2FJ C28 H19 SING N N 112 2FJ C29 H20 SING N N 113 2FJ C30 H21 SING N N 114 2FJ C31 H22 SING N N 115 2FJ C33 H23 SING N N 116 2FJ C34 H24 SING N N 117 2FJ C35 H25 SING N N 118 2FJ C39 H26 SING N N 119 2FJ C40 H27 SING N N 120 2FJ C41 H28 SING N N 121 2FJ C45 H29 SING N N 122 2FJ C46 H30 SING N N 123 2FJ C47 H31 SING N N 124 2FJ C48 H32 SING N N 125 2FJ C50 H33 SING N N 126 2FJ C51 H34 SING N N 127 2FJ C52 H35 SING N N 128 2FJ C53 H36 SING N N 129 2FJ C55 H37 SING N N 130 2FJ C56 H38 SING N N 131 2FJ C57 H39 SING N N 132 2FJ C58 H40 SING N N 133 2FJ C60 H41 SING N N 134 2FJ C61 H42 SING N N 135 2FJ C62 H43 SING N N 136 2FJ C63 H44 SING N N 137 2FJ RU2 N9 SING N N 138 2FJ RU2 N11 SING N N 139 2FJ RU2 N14 SING N N 140 2FJ RU1 N3 SING N N 141 2FJ RU1 N2 SING N N 142 2FJ RU1 N6 SING N N 143 2FJ C18 H11 SING N N 144 # # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor 2FJ SMILES ACDLabs 12.01 "n1c%13c(nc4c1c2cccn%11c2c3n(cccc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8ccccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16ccccn%16%17)n%18ccccc%18c%19ccccn%19%20" 2FJ InChI InChI 1.03 "InChI=1S/C24H12N6.4C10H8N2.2Ru/c1-5-13-17(25-9-1)18-14(6-2-10-26-18)22-21(13)29-23-15-7-3-11-27-19(15)20-16(24(23)30-22)8-4-12-28-20;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;/h1-12H;4*1-8H;;/q;;;;;2*+2" 2FJ InChIKey InChI 1.03 CUPZTUKKQZECGK-UHFFFAOYSA-N 2FJ SMILES_CANONICAL CACTVS 3.385 "[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11" 2FJ SMILES CACTVS 3.385 "[Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccccc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17ccccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%12nc9%11" 2FJ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1" 2FJ SMILES "OpenEye OEToolkits" 1.7.6 "C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([N]6=C(C=CC=C6)C7=[N]4C=CC=C7)[N]8=C9C(=CC=C8)c1c(nc2c3c4c6c(c2n1)C=CC=[N]6[Ru+2]12([N]4=CC=C3)([N]3=C(C=CC=C3)C3=[N]1C=CC=C3)[N]1=C(C=CC=C1)C1=[N]2C=CC=C1)C1=C9[N]5=CC=C1" # _pdbx_chem_comp_identifier.comp_id 2FJ _pdbx_chem_comp_identifier.type "SYSTEMATIC NAME" _pdbx_chem_comp_identifier.program ACDLabs _pdbx_chem_comp_identifier.program_version 12.01 _pdbx_chem_comp_identifier.identifier "tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 2FJ "Create component" 2013-10-08 RCSB 2FJ "Initial release" 2013-10-16 RCSB 2FJ "Other modification" 2013-10-25 RCSB ##