
 CHEMBL557974

 54 55  0  0  0  0  0  0  0  0999 V2000
    8.4964   -2.8878    2.2376 C   0  0  0  0  0
    7.6022   -1.7189    2.2570 N   0  0  0  0  0
    7.6766   -1.0641    3.5756 C   0  0  0  0  0
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    4.9668    2.0393   -0.5360 C   0  0  0  0  0
    6.8657    3.7401   -0.1946 C   0  0  0  0  0
    8.2212    3.8910   -0.1024 N   0  0  0  0  0
    8.8415    5.0934   -0.0653 C   0  0  0  0  0
   10.2341    5.1719    0.0337 C   0  0  0  0  0
   10.8649    6.4227    0.0640 C   0  0  0  0  0
   10.0922    7.5972   -0.0074 C   0  0  0  0  0
    8.6973    7.5086   -0.1051 C   0  0  0  0  0
    8.0756    6.2549   -0.1329 C   0  0  0  0  0
    6.7306    6.1540   -0.2167 N   0  0  0  0  0
    6.0710    4.9570   -0.2393 C   0  0  0  0  0
    4.5767    5.0350   -0.2706 C   0  0  0  0  0
    3.9223    6.1907   -0.5175 C   0  0  0  0  0
    2.4314    6.3221   -0.5249 C   0  0  0  0  0
    1.8732    7.5504   -0.9242 C   0  0  0  0  0
    0.4865    7.7293   -0.9455 C   0  0  0  0  0
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    1.5585    5.2748   -0.1414 C   0  0  0  0  0
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   12.6175    6.4956    0.1903 Cl  0  0  0  0  0
    1.0680    0.7408    3.8398 Cl  0  0  0  0  0
    8.4113   -3.4235    1.2678 H   0  0  0  0  0
    8.2067   -3.6084    3.0322 H   0  0  0  0  0
    9.5567   -2.5854    2.3929 H   0  0  0  0  0
    6.8823   -0.2983    3.6784 H   0  0  0  0  0
    7.4836   -1.8012    4.3854 H   0  0  0  0  0
    8.6726   -0.5980    3.7400 H   0  0  0  0  0
    7.9106   -1.3721    0.1916 H   0  0  0  0  0
    8.9933   -0.4164    1.2711 H   0  0  0  0  0
    7.0340    1.0190    1.9213 H   0  0  0  0  0
    5.9459   -0.0419    0.9477 H   0  0  0  0  0
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    8.3486    1.5689   -0.1025 H   0  0  0  0  0
    4.8358    0.9552   -0.7380 H   0  0  0  0  0
    4.6048    2.5520   -1.4525 H   0  0  0  0  0
    4.3607    2.2287    0.3721 H   0  0  0  0  0
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    8.0999    8.4107   -0.1577 H   0  0  0  0  0
    3.9882    4.1850   -0.0774 H   0  0  0  0  0
    4.4985    7.0849   -0.7377 H   0  0  0  0  0
    2.5140    8.3704   -1.2234 H   0  0  0  0  0
    0.0690    8.6777   -1.2583 H   0  0  0  0  0
   -1.4344    6.8310   -0.5784 H   0  0  0  0  0
   -0.4856    4.6611    0.1382 H   0  0  0  0  0
    1.9225    4.3142    0.1838 H   0  0  0  0  0
    0.7217   -0.5332    4.2267 H   0  0  0  0  0
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  1 31  1  0  0  0
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  2  4  1  0  0  0
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  3 35  1  0  0  0
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  4 36  1  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  9  1  0  0  0
  7  8  1  0  0  0
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  9 18  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL557974

>  <PubChem CID>
9890049

>  <Formula>
C22H25Cl3N4

>  <Molecular Weight>
451.820000

>  <IUPAC Name>
N'-[6,7-dichloro-3-[(E)-2-phenylethenyl]quinoxalin-2-yl]-N,N,N'-trimethylpropane-1,3-diamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN(C)CCCN(C)C1=NC2=CC(=C(C=C2N=C1C=CC3=CC=CC=C3)Cl)Cl.Cl

>  <Isomeric SMILES>
CN(C)CCCN(C)C1=NC2=CC(=C(C=C2N=C1/C=C/C3=CC=CC=C3)Cl)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C22H24Cl2N4.ClH/c1-27(2)12-7-13-28(3)22-19(11-10-16-8-5-4-6-9-16)25-20-14-17(23)18(24)15-21(20)26-22;/h4-6,8-11,14-15H,7,12-13H2,1-3H3;1H/b11-10+;

>  <InChI Key>
URAQDAFRWYEPNC-ASTDGNLGSA-N

