
 CHEMBL590603

 67 68  0  0  0  0  0  0  0  0999 V2000
   -2.0127    2.6420   -7.9568 C   0  0  0  0  0
   -1.6941    3.0510   -6.6691 C   0  0  0  0  0
   -0.5471    3.8220   -6.4179 C   0  0  0  0  0
    0.3351    4.1762   -7.4576 C   0  0  0  0  0
   -0.0204    3.7498   -8.7599 C   0  0  0  0  0
   -1.1794    3.0015   -9.0062 C   0  0  0  0  0
    0.9537    4.1302  -10.1456 Cl  0  0  0  0  0
    1.6321    4.9549   -7.2980 C   0  0  0  0  0
    1.9373    5.4106   -5.9797 O   0  0  0  0  0
    3.1713    4.8879   -5.5482 N   0  0  0  0  0
    3.0595    4.6086   -4.2890 C   0  0  0  0  0
    4.1689    4.0120   -3.5381 C   0  0  0  0  0
    5.4801    4.2092   -3.9586 C   0  0  0  0  0
    6.4927    3.6042   -3.2375 C   0  0  0  0  0
    6.2222    2.8131   -2.1712 N   0  0  0  0  0
    4.9404    2.6262   -1.7489 C   0  0  0  0  0
    3.8902    3.2346   -2.4214 C   0  0  0  0  0
    7.3325    2.1072   -1.4863 C   0  0  0  0  0
    7.6022    0.7995   -2.2300 C   0  0  0  0  0
    8.8167    0.0423   -1.6972 C   0  0  0  0  0
    8.9227   -1.2679   -2.4005 N   0  0  0  0  0
    9.2594   -1.3067   -3.7147 C   0  0  0  0  0
    9.2709   -2.5030   -4.4179 C   0  0  0  0  0
    8.9596   -3.6754   -3.7438 C   0  0  0  0  0
    8.6719   -3.6386   -2.3829 C   0  0  0  0  0
    8.6527   -2.4146   -1.7283 C   0  0  0  0  0
    8.8973   -4.9388   -4.4981 C   0  0  0  0  0
    8.5245   -6.0366   -3.9301 N   0  0  0  0  0
    8.5205   -7.0531   -4.8978 O   0  0  0  0  0
    7.7379   -8.1479   -4.4155 C   0  0  0  0  0
    7.7056   -9.2130   -5.4796 C   0  0  0  0  0
    8.6468  -10.2581   -5.4973 C   0  0  0  0  0
    8.6127  -11.2453   -6.4897 C   0  0  0  0  0
    7.6488  -11.2015   -7.4921 C   0  0  0  0  0
    6.7265  -10.1601   -7.5105 C   0  0  0  0  0
    6.7590   -9.1708   -6.5207 C   0  0  0  0  0
    5.5990   -7.8938   -6.6559 Cl  0  0  0  0  0
    9.9072  -10.3825   -4.3180 Cl  0  0  0  0  0
   -0.3714    4.3074   -4.7728 Cl  0  0  0  0  0
    1.0000    0.0000    0.0000 Br  0  0  0  0  0
    1.0000    0.0000    0.0000 Br  0  0  0  0  0
   -2.9078    2.0514   -8.1339 H   0  0  0  0  0
   -2.3490    2.7673   -5.8450 H   0  0  0  0  0
   -1.4345    2.6920  -10.0167 H   0  0  0  0  0
    1.5780    5.8573   -7.9167 H   0  0  0  0  0
    2.4574    4.3353   -7.6746 H   0  0  0  0  0
    2.1276    4.7800   -3.7273 H   0  0  0  0  0
    5.7007    4.8202   -4.8257 H   0  0  0  0  0
    7.5346    3.7322   -3.5264 H   0  0  0  0  0
    4.7514    1.9764   -0.8938 H   0  0  0  0  0
    2.8642    3.0457   -2.0832 H   0  0  0  0  0
    7.0609    1.9453   -0.4393 H   0  0  0  0  0
    8.2089    2.7684   -1.5130 H   0  0  0  0  0
    7.7519    1.0159   -3.2952 H   0  0  0  0  0
    6.7146    0.1595   -2.1763 H   0  0  0  0  0
    8.7389   -0.1408   -0.6214 H   0  0  0  0  0
    9.7532    0.5813   -1.8880 H   0  0  0  0  0
    9.4904   -0.3657   -4.2062 H   0  0  0  0  0
    9.4957   -2.5094   -5.4823 H   0  0  0  0  0
    8.4356   -4.5505   -1.8363 H   0  0  0  0  0
    8.4083   -2.3448   -0.6710 H   0  0  0  0  0
    9.1549   -4.9073   -5.5730 H   0  0  0  0  0
    6.7263   -7.8024   -4.1714 H   0  0  0  0  0
    8.1598   -8.5183   -3.4751 H   0  0  0  0  0
    9.3417  -12.0529   -6.4861 H   0  0  0  0  0
    7.6219  -11.9704   -8.2603 H   0  0  0  0  0
    5.9817  -10.1206   -8.3030 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 42  1  0  0  0
  2  3  1  0  0  0
  2 43  1  0  0  0
  3  4  2  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 47  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  2  0  0  0
 14 49  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 50  1  0  0  0
 17 51  1  0  0  0
 18 19  1  0  0  0
 18 52  1  0  0  0
 18 53  1  0  0  0
 19 20  1  0  0  0
 19 54  1  0  0  0
 19 55  1  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 20 57  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 58  1  0  0  0
 23 24  2  0  0  0
 23 59  1  0  0  0
 24 25  1  0  0  0
 24 27  1  0  0  0
 25 26  2  0  0  0
 25 60  1  0  0  0
 26 61  1  0  0  0
 27 28  2  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 30 31  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 32  2  0  0  0
 31 36  1  0  0  0
 32 33  1  0  0  0
 32 38  1  0  0  0
 33 34  2  0  0  0
 33 65  1  0  0  0
 34 35  1  0  0  0
 34 66  1  0  0  0
 35 36  2  0  0  0
 35 67  1  0  0  0
 36 37  1  0  0  0
M  CHG  4  15   1  21   1  40  -1  41  -1
M  END

>  <Chemical Name>
CHEMBL590603

>  <PubChem CID>
10101669

>  <Formula>
C29H26Br2Cl4N4O2

>  <Molecular Weight>
764.161000

>  <IUPAC Name>
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-[1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-4-yl]methanimine;dibromide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC(=C(C(=C1)Cl)CON=CC2=CC=[N+](C=C2)CCC[N+]3=CC=C(C=C3)C=NOCC4=C(C=CC=C4Cl)Cl)Cl.[Br-].[Br-]

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)Cl)CO/N=C/C2=CC=[N+](C=C2)CCC[N+]3=CC=C(C=C3)/C=N/OCC4=C(C=CC=C4Cl)Cl)Cl.[Br-].[Br-]

>  <InChI Std. ID>
InChI=1S/C29H26Cl4N4O2.2BrH/c30-26-4-1-5-27(31)24(26)20-38-34-18-22-8-14-36(15-9-22)12-3-13-37-16-10-23(11-17-37)19-35-39-21-25-28(32)6-2-7-29(25)33;;/h1-2,4-11,14-19H,3,12-13,20-21H2;2*1H/q+2;;/p-2/b34-18+,35-19+;;

>  <InChI Key>
AZDRQTFJLLPWHF-QVTHAZQSSA-L

