data_BDC
# 
_chem_comp.id                                    BDC 
_chem_comp.name                                  BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-4-CARBOXAMIDE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C44 H54 N8 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         BIS-DACA 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-10-12 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        726.952 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     BDC 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_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 
BDC C5     C5     C 0 1 Y N N 11.715 -17.862 52.355 8.060  -4.557 -0.819 C5     BDC 1   
BDC C6     C6     C 0 1 Y N N 11.481 -16.673 52.969 7.207  -5.327 -0.025 C6     BDC 2   
BDC C7     C7     C 0 1 Y N N 10.282 -15.983 52.688 5.869  -4.975 0.099  C7     BDC 3   
BDC C8     C8     C 0 1 Y N N 9.367  -16.454 51.841 5.390  -3.854 -0.573 C8     BDC 4   
BDC C9     C9     C 0 1 Y N N 8.582  -18.185 50.273 5.771  -1.941 -2.056 C9     BDC 5   
BDC C1     C1     C 0 1 Y N N 8.025  -19.988 48.796 6.256  -0.058 -3.548 C1     BDC 6   
BDC C2     C2     C 0 1 Y N N 8.316  -21.180 48.213 7.156  0.667  -4.324 C2     BDC 7   
BDC C3     C3     C 0 1 Y N N 9.515  -21.849 48.508 8.480  0.254  -4.401 C3     BDC 8   
BDC C4     C4     C 0 1 Y N N 10.428 -21.335 49.381 8.899  -0.881 -3.702 C4     BDC 9   
BDC C14    C14    C 0 1 Y N N 10.767 -18.394 51.450 7.606  -3.431 -1.501 C14    BDC 10  
BDC C13    C13    C 0 1 Y N N 9.581  -17.677 51.194 6.252  -3.081 -1.371 C13    BDC 11  
BDC C11    C11    C 0 1 Y N N 8.920  -19.391 49.711 6.681  -1.199 -2.846 C11    BDC 12  
BDC C12    C12    C 0 1 Y N N 10.150 -20.079 50.011 8.019  -1.623 -2.919 C12    BDC 13  
BDC N10    N10    N 0 1 Y N N 11.061 -19.574 50.877 8.457  -2.712 -2.259 N10    BDC 14  
BDC N9     N9     N 0 1 N N N 7.450  -17.481 50.040 4.440  -1.558 -1.955 N9     BDC 15  
BDC CD1    CD1    C 0 1 N N N 11.722 -21.999 49.735 10.300 -1.272 -3.818 CD1    BDC 16  
BDC OD1    OD1    O 0 1 N N N 12.270 -22.712 48.878 10.861 -1.874 -2.888 OD1    BDC 17  
BDC CE1    CE1    C 0 1 N N N 6.235  -17.701 50.747 3.564  -1.972 -0.893 CE1    BDC 18  
BDC CE3    CE3    C 0 1 N N N 6.192  -15.840 52.312 1.592  -1.353 0.550  CE3    BDC 19  
BDC CE2    CE2    C 0 1 N N N 6.302  -17.348 52.207 2.526  -0.903 -0.574 CE2    BDC 20  
BDC CE4    CE4    C 0 1 N N N 6.715  -15.512 53.706 0.574  -0.265 0.896  CE4    BDC 21  
BDC ND1    ND1    N 0 1 N N N 12.283 -21.845 50.913 10.946 -0.957 -5.016 ND1    BDC 22  
BDC CD2    CD2    C 0 1 N N N 13.729 -21.872 51.111 12.323 -1.298 -5.291 CD2    BDC 23  
BDC CD3    CD3    C 0 1 N N N 14.163 -23.337 51.245 12.456 -2.662 -5.946 CD3    BDC 24  
BDC ND2    ND2    N 0 1 N N N 12.993 -24.145 51.668 13.829 -3.007 -6.199 ND2    BDC 25  
BDC CD7    CD7    C 0 1 N N N 12.977 -25.423 50.793 13.939 -4.320 -6.854 CD7    BDC 26  
BDC CD8    CD8    C 0 1 N N N 13.130 -24.458 53.149 14.618 -3.010 -4.958 CD8    BDC 27  
BDC CF4    "'CE4" C 0 1 N N N ?      ?       ?      -0.382 -0.727 1.998  CF4    BDC 28  
BDC CF3    "'CE3" C 0 1 N N N ?      ?       ?      -1.379 0.373  2.367  CF3    BDC 29  
BDC CF2    "'CE2" C 0 1 N N N ?      ?       ?      -2.354 -0.102 3.449  CF2    BDC 30  
BDC CF1    "'CE1" C 0 1 N N N ?      ?       ?      -3.371 0.968  3.832  CF1    BDC 31  
BDC "N9'"  "'N9"  N 0 1 N N N ?      ?       ?      -2.747 2.167  4.320  "N9'"  BDC 32  
BDC "C5'"  "'C5"  C 0 1 Y N N ?      ?       ?      -6.444 5.112  3.292  "C5'"  BDC 33  
BDC "C6'"  "'C6"  C 0 1 Y N N ?      ?       ?      -7.308 4.023  3.162  "C6'"  BDC 34  
BDC "C7'"  "'C7"  C 0 1 Y N N ?      ?       ?      -6.831 2.732  3.352  "C7'"  BDC 35  
BDC "C8'"  "'C8"  C 0 1 Y N N ?      ?       ?      -5.491 2.536  3.671  "C8'"  BDC 36  
BDC "C9'"  "'C9"  C 0 1 Y N N ?      ?       ?      -3.260 3.444  4.125  "C9'"  BDC 37  
BDC "C1'"  "'C1"  C 0 1 Y N N ?      ?       ?      -1.069 4.450  4.564  "C1'"  BDC 38  
BDC "C2'"  "'C2"  C 0 1 Y N N ?      ?       ?      -0.259 5.575  4.680  "C2'"  BDC 39  
BDC "C3'"  "'C3"  C 0 1 Y N N ?      ?       ?      -0.807 6.836  4.477  "C3'"  BDC 40  
BDC "C4'"  "'C4"  C 0 1 Y N N ?      ?       ?      -2.161 6.965  4.159  "C4'"  BDC 41  
BDC "CE'"  "'C14" C 0 1 Y N N ?      ?       ?      -5.099 4.944  3.611  "CE'"  BDC 42  
BDC "CD'"  "'C13" C 0 1 Y N N ?      ?       ?      -4.623 3.635  3.801  "CD'"  BDC 43  
BDC "CB'"  "'C11" C 0 1 Y N N ?      ?       ?      -2.431 4.584  4.244  "CB'"  BDC 44  
BDC "CC'"  "'C12" C 0 1 Y N N ?      ?       ?      -2.992 5.855  4.037  "CC'"  BDC 45  
BDC "NA'"  "'N10" N 0 1 Y N N ?      ?       ?      -4.294 6.017  3.729  "NA'"  BDC 46  
BDC CB1    "'CD1" C 0 1 N N N ?      ?       ?      -2.686 8.311  3.957  CB1    BDC 47  
BDC O1X    "'OD1" O 0 1 N N N ?      ?       ?      -2.177 9.278  4.547  O1X    BDC 48  
BDC NB1    "'ND1" N 0 1 N N N ?      ?       ?      -3.752 8.445  3.063  NB1    BDC 49  
BDC CB2    "'CD2" C 0 1 N N N ?      ?       ?      -4.365 9.713  2.740  CB2    BDC 50  
BDC CB3    "'CD3" C 0 1 N N N ?      ?       ?      -5.518 10.047 3.672  CB3    BDC 51  
BDC NB2    "'ND2" N 0 1 N N N ?      ?       ?      -6.138 11.300 3.334  NB2    BDC 52  
BDC CB7    "'CD7" C 0 1 N N N ?      ?       ?      -5.172 12.408 3.392  CB7    BDC 53  
BDC CB8    "'CD8" C 0 1 N N N ?      ?       ?      -7.273 11.592 4.222  CB8    BDC 54  
BDC H5     H5     H 0 1 N N N 12.628 -18.403 52.558 9.105  -4.853 -0.900 H5     BDC 55  
BDC H6     H6     H 0 1 N N N 12.201 -16.262 53.661 7.591  -6.199 0.495  H6     BDC 56  
BDC H7     H7     H 0 1 N N N 10.099 -15.038 53.178 5.202  -5.570 0.715  H7     BDC 57  
BDC H8     H8     H 0 1 N N N 8.463  -15.894 51.654 4.339  -3.603 -0.457 H8     BDC 58  
BDC H1     H1     H 0 1 N N N 7.097  -19.490 48.557 5.227  0.290  -3.507 H1     BDC 59  
BDC H2     H2     H 0 1 N N N 7.618  -21.618 47.515 6.825  1.548  -4.865 H2     BDC 60  
BDC H3     H3     H 0 1 N N N 9.720  -22.796 48.031 9.181  0.822  -5.008 H3     BDC 61  
BDC H9     H9     H 0 1 N N N 7.692  -16.529 50.227 4.068  -0.948 -2.679 H9     BDC 62  
BDC HE11   1HE1   H 0 0 N N N 5.455  -17.079 50.283 3.082  -2.902 -1.211 HE11   BDC 63  
BDC HE12   2HE1   H 0 0 N N N 6.021  -18.778 50.688 4.189  -2.186 -0.020 HE12   BDC 64  
BDC HE31   1HE3   H 0 0 N N N 6.793  -15.344 51.536 2.182  -1.601 1.441  HE31   BDC 65  
BDC HE32   2HE3   H 0 0 N N N 5.161  -15.488 52.162 1.065  -2.266 0.247  HE32   BDC 66  
BDC HE21   1HE2   H 0 0 N N N 5.476  -17.828 52.752 1.942  -0.677 -1.475 HE21   BDC 67  
BDC HE22   2HE2   H 0 0 N N N 7.246  -17.700 52.649 3.031  0.027  -0.287 HE22   BDC 68  
BDC HE41   1HE4   H 0 0 N N N 6.545  -15.348 54.780 1.100  0.640  1.223  HE41   BDC 69  
BDC HE42   2HE4   H 0 0 N N N 7.330  -15.721 54.594 -0.000 0.000  0.000  HE42   BDC 70  
BDC HD1    HD1    H 0 1 N N N 11.694 -21.703 51.708 10.420 -0.520 -5.766 HD1    BDC 71  
BDC HD21   1HD2   H 0 0 N N N 14.234 -21.408 50.251 12.735 -0.508 -5.927 HD21   BDC 72  
BDC HD22   2HD2   H 0 0 N N N 14.000 -21.310 52.017 12.854 -1.287 -4.334 HD22   BDC 73  
BDC HD31   1HD3   H 0 0 N N N 14.536 -23.703 50.277 12.045 -3.438 -5.292 HD31   BDC 74  
BDC HD32   2HD3   H 0 0 N N N 14.966 -23.422 51.992 11.926 -2.699 -6.903 HD32   BDC 75  
BDC HD71   1HD7   H 0 0 N N N 12.973 -25.140 49.730 14.975 -4.506 -7.150 HD71   BDC 76  
BDC HD72   2HD7   H 0 0 N N N 13.871 -26.026 51.009 13.308 -4.351 -7.747 HD72   BDC 77  
BDC HD73   3HD7   H 0 0 N N N 12.075 -26.011 51.019 13.620 -5.111 -6.171 HD73   BDC 78  
BDC HD81   1HD8   H 0 0 N N N 13.163 -25.548 53.292 15.328 -2.179 -4.962 HD81   BDC 79  
BDC HD82   2HD8   H 0 0 N N N 14.058 -24.009 53.534 15.174 -3.947 -4.866 HD82   BDC 80  
BDC HD83   3HD8   H 0 0 N N N 12.268 -24.043 53.692 13.960 -2.906 -4.091 HD83   BDC 81  
BDC "H4'1" "1H4'" H 0 0 N N N ?      ?       ?      -0.926 -1.619 1.662  "H4'1" BDC 82  
BDC "H4'2" "2H4'" H 0 0 N N N ?      ?       ?      0.194  -1.015 2.886  "H4'2" BDC 83  
BDC "H3'1" "1H3'" H 0 0 N N N ?      ?       ?      -0.835 1.255  2.726  "H3'1" BDC 84  
BDC "H3'2" "2H3'" H 0 0 N N N ?      ?       ?      -1.933 0.676  1.471  "H3'2" BDC 85  
BDC "H2'1" "1H2'" H 0 0 N N N ?      ?       ?      -1.786 -0.380 4.346  "H2'1" BDC 86  
BDC "H2'2" "2H2'" H 0 0 N N N ?      ?       ?      -2.875 -1.003 3.104  "H2'2" BDC 87  
BDC "H1'1" "1H1'" H 0 0 N N N ?      ?       ?      -4.056 0.607  4.605  "H1'1" BDC 88  
BDC "H1'2" "2H1'" H 0 0 N N N ?      ?       ?      -3.964 1.250  2.956  "H1'2" BDC 89  
BDC "H9'"  "'H9"  H 0 1 N N N ?      ?       ?      -1.878 2.083  4.842  "H9'"  BDC 90  
BDC "H5'"  "'H5"  H 0 1 N N N ?      ?       ?      -6.841 6.114  3.139  "H5'"  BDC 91  
BDC "H6'"  "'H6"  H 0 1 N N N ?      ?       ?      -8.352 4.186  2.913  "H6'"  BDC 92  
BDC "H7'"  "'H7"  H 0 1 N N N ?      ?       ?      -7.499 1.882  3.252  "H7'"  BDC 93  
BDC "H8'"  "'H8"  H 0 1 N N N ?      ?       ?      -5.146 1.515  3.813  "H8'"  BDC 94  
BDC "H1'"  "'H1"  H 0 1 N N N ?      ?       ?      -0.612 3.477  4.728  "H1'"  BDC 95  
BDC "H2'"  "'H2"  H 0 1 N N N ?      ?       ?      0.792  5.469  4.928  "H2'"  BDC 96  
BDC "H3'"  "'H3"  H 0 1 N N N ?      ?       ?      -0.172 7.714  4.569  "H3'"  BDC 97  
BDC "HD1'" "'HD1" H 0 0 N N N ?      ?       ?      -4.087 7.629  2.561  "HD1'" BDC 98  
BDC "H'21" "1H'2" H 0 0 N N N ?      ?       ?      -3.581 10.476 2.784  "H'21" BDC 99  
BDC "H'22" "2H'2" H 0 0 N N N ?      ?       ?      -4.724 9.642  1.708  "H'22" BDC 100 
BDC "H'31" "1H'3" H 0 0 N N N ?      ?       ?      -6.293 9.278  3.607  "H'31" BDC 101 
BDC "H'32" "2H'3" H 0 0 N N N ?      ?       ?      -5.182 10.116 4.712  "H'32" BDC 102 
BDC "H'71" "1H'7" H 0 0 N N N ?      ?       ?      -4.454 12.324 2.572  "H'71" BDC 103 
BDC "H'72" "2H'7" H 0 0 N N N ?      ?       ?      -4.628 12.386 4.340  "H'72" BDC 104 
BDC "H'73" "3H'7" H 0 0 N N N ?      ?       ?      -5.691 13.367 3.308  "H'73" BDC 105 
BDC "H'81" "1H'8" H 0 0 N N N ?      ?       ?      -7.871 12.410 3.811  "H'81" BDC 106 
BDC "H'82" "2H'8" H 0 0 N N N ?      ?       ?      -6.914 11.883 5.213  "H'82" BDC 107 
BDC "H'83" "3H'8" H 0 0 N N N ?      ?       ?      -7.909 10.709 4.326  "H'83" BDC 108 
# 
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 
BDC C5    C6     DOUB Y N 1   
BDC C5    C14    SING Y N 2   
BDC C5    H5     SING N N 3   
BDC C6    C7     SING Y N 4   
BDC C6    H6     SING N N 5   
BDC C7    C8     DOUB Y N 6   
BDC C7    H7     SING N N 7   
BDC C8    C13    SING Y N 8   
BDC C8    H8     SING N N 9   
BDC C9    C13    DOUB Y N 10  
BDC C9    C11    SING Y N 11  
BDC C9    N9     SING N N 12  
BDC C1    C2     DOUB Y N 13  
BDC C1    C11    SING Y N 14  
BDC C1    H1     SING N N 15  
BDC C2    C3     SING Y N 16  
BDC C2    H2     SING N N 17  
BDC C3    C4     DOUB Y N 18  
BDC C3    H3     SING N N 19  
BDC C4    C12    SING Y N 20  
BDC C4    CD1    SING N N 21  
BDC C14   C13    SING Y N 22  
BDC C14   N10    DOUB Y N 23  
BDC C11   C12    DOUB Y N 24  
BDC C12   N10    SING Y N 25  
BDC N9    CE1    SING N N 26  
BDC N9    H9     SING N N 27  
BDC CD1   OD1    DOUB N N 28  
BDC CD1   ND1    SING N N 29  
BDC CE1   CE2    SING N N 30  
BDC CE1   HE11   SING N N 31  
BDC CE1   HE12   SING N N 32  
BDC CE3   CE2    SING N N 33  
BDC CE3   CE4    SING N N 34  
BDC CE3   HE31   SING N N 35  
BDC CE3   HE32   SING N N 36  
BDC CE2   HE21   SING N N 37  
BDC CE2   HE22   SING N N 38  
BDC CE4   CF4    SING N N 39  
BDC CE4   HE41   SING N N 40  
BDC CE4   HE42   SING N N 41  
BDC ND1   CD2    SING N N 42  
BDC ND1   HD1    SING N N 43  
BDC CD2   CD3    SING N N 44  
BDC CD2   HD21   SING N N 45  
BDC CD2   HD22   SING N N 46  
BDC CD3   ND2    SING N N 47  
BDC CD3   HD31   SING N N 48  
BDC CD3   HD32   SING N N 49  
BDC ND2   CD7    SING N N 50  
BDC ND2   CD8    SING N N 51  
BDC CD7   HD71   SING N N 52  
BDC CD7   HD72   SING N N 53  
BDC CD7   HD73   SING N N 54  
BDC CD8   HD81   SING N N 55  
BDC CD8   HD82   SING N N 56  
BDC CD8   HD83   SING N N 57  
BDC CF4   CF3    SING N N 58  
BDC CF4   "H4'1" SING N N 59  
BDC CF4   "H4'2" SING N N 60  
BDC CF3   CF2    SING N N 61  
BDC CF3   "H3'1" SING N N 62  
BDC CF3   "H3'2" SING N N 63  
BDC CF2   CF1    SING N N 64  
BDC CF2   "H2'1" SING N N 65  
BDC CF2   "H2'2" SING N N 66  
BDC CF1   "N9'"  SING N N 67  
BDC CF1   "H1'1" SING N N 68  
BDC CF1   "H1'2" SING N N 69  
BDC "N9'" "C9'"  SING N N 70  
BDC "N9'" "H9'"  SING N N 71  
BDC "C5'" "C6'"  DOUB Y N 72  
BDC "C5'" "CE'"  SING Y N 73  
BDC "C5'" "H5'"  SING N N 74  
BDC "C6'" "C7'"  SING Y N 75  
BDC "C6'" "H6'"  SING N N 76  
BDC "C7'" "C8'"  DOUB Y N 77  
BDC "C7'" "H7'"  SING N N 78  
BDC "C8'" "CD'"  SING Y N 79  
BDC "C8'" "H8'"  SING N N 80  
BDC "C9'" "CD'"  DOUB Y N 81  
BDC "C9'" "CB'"  SING Y N 82  
BDC "C1'" "C2'"  DOUB Y N 83  
BDC "C1'" "CB'"  SING Y N 84  
BDC "C1'" "H1'"  SING N N 85  
BDC "C2'" "C3'"  SING Y N 86  
BDC "C2'" "H2'"  SING N N 87  
BDC "C3'" "C4'"  DOUB Y N 88  
BDC "C3'" "H3'"  SING N N 89  
BDC "C4'" "CC'"  SING Y N 90  
BDC "C4'" CB1    SING N N 91  
BDC "CE'" "CD'"  SING Y N 92  
BDC "CE'" "NA'"  DOUB Y N 93  
BDC "CB'" "CC'"  DOUB Y N 94  
BDC "CC'" "NA'"  SING Y N 95  
BDC CB1   O1X    DOUB N N 96  
BDC CB1   NB1    SING N N 97  
BDC NB1   CB2    SING N N 98  
BDC NB1   "HD1'" SING N N 99  
BDC CB2   CB3    SING N N 100 
BDC CB2   "H'21" SING N N 101 
BDC CB2   "H'22" SING N N 102 
BDC CB3   NB2    SING N N 103 
BDC CB3   "H'31" SING N N 104 
BDC CB3   "H'32" SING N N 105 
BDC NB2   CB7    SING N N 106 
BDC NB2   CB8    SING N N 107 
BDC CB7   "H'71" SING N N 108 
BDC CB7   "H'72" SING N N 109 
BDC CB7   "H'73" SING N N 110 
BDC CB8   "H'81" SING N N 111 
BDC CB8   "H'82" SING N N 112 
BDC CB8   "H'83" SING N N 113 
# 
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 
BDC SMILES           ACDLabs              10.04 O=C(NCCN(C)C)c3c2nc1c(cccc1)c(c2ccc3)NCCCCCCCCNc4c6c(nc5c4cccc5C(=O)NCCN(C)C)cccc6 
BDC InChI            InChI                1.02b 
;InChI=1/C44H54N8O2/c1-51(2)29-27-47-43(53)35-21-15-19-33-39(31-17-9-11-23-37(31)49-41(33)35)45-25-13-7-5-6-8-14-26-46-40-32-18-10-12-24-38(32)50-42-34(40)20-16-22-36(42)44(54)48-28-30-52(3)4/h9-12,15-24H,5-8,13-14,25-30H2,1-4H3,(H,45,49)(H,46,50)(H,47,53)(H,48,54)/f/h45-48H
;
BDC InChIKey         InChI                1.02b UUXARTGDSXDSRM-VGCFONLKCA 
BDC SMILES_CANONICAL CACTVS               3.341 CN(C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12 
BDC SMILES           CACTVS               3.341 CN(C)CCNC(=O)c1cccc2c(NCCCCCCCCNc3c4ccccc4nc5c(cccc35)C(=O)NCCN(C)C)c6ccccc6nc12 
BDC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C 
BDC SMILES           "OpenEye OEToolkits" 1.5.0 CN(C)CCNC(=O)c1cccc2c1nc3ccccc3c2NCCCCCCCCNc4c5ccccc5nc6c4cccc6C(=O)NCCN(C)C 
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loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
BDC "SYSTEMATIC NAME" ACDLabs              10.04 "9,9'-(octane-1,8-diyldiimino)bis{N-[2-(dimethylamino)ethyl]acridine-4-carboxamide}"                                  
BDC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 N-(2-dimethylaminoethyl)-9-[8-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]octylamino]acridine-4-carboxamide 
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