
 CHEMBL278294

 63 66  0  0  0  0  0  0  0  0999 V2000
    2.0033    2.2481   -0.5005 C   0  0  0  0  0
    2.4905    0.9159    0.0416 C   0  0  0  0  0
    3.8789    0.6486   -0.3234 N   0  0  0  0  0
    4.9865    1.1507    0.2721 C   0  0  0  0  0
    6.0721    0.4646   -0.1882 N   0  0  0  0  0
    5.6418   -0.3980   -1.1661 C   0  0  0  0  0
    6.3813   -1.2271   -1.9835 N   0  0  0  0  0
    5.6261   -1.9377   -2.8498 C   0  0  0  0  0
    6.2740   -2.8134   -3.7076 C   0  0  0  0  0
    5.5712   -3.5733   -4.6406 C   0  0  0  0  0
    4.1890   -3.4601   -4.7205 C   0  0  0  0  0
    3.5157   -2.5870   -3.8643 C   0  0  0  0  0
    4.1911   -1.8204   -2.9291 C   0  0  0  0  0
    3.4700   -0.9840   -2.1365 N   0  0  0  0  0
    4.2580   -0.2885   -1.2426 C   0  0  0  0  0
    7.3827    0.4457    0.4694 C   0  0  0  0  0
    8.4040   -0.5558   -0.0423 C   0  0  0  0  0
    4.9612    2.3480    1.1958 C   0  0  0  0  0
    5.9624    3.1946    1.4554 C   0  0  0  0  0
    5.8134    4.4046    2.2362 C   0  0  0  0  0
    6.8466    5.1295    2.7069 C   0  0  0  0  0
    6.6772    6.5766    3.2568 C   0  0  0  0  0
    8.1243    6.9857    3.4597 C   0  0  0  0  0
    8.6458    8.1956    3.8980 C   0  0  0  0  0
   10.0306    8.3122    4.0269 C   0  0  0  0  0
   10.8694    7.2304    3.7222 C   0  0  0  0  0
   10.3349    6.0150    3.2849 C   0  0  0  0  0
    8.9592    5.8976    3.1577 C   0  0  0  0  0
    8.2126    4.7749    2.7231 N   0  0  0  0  0
    8.6843    3.5180    3.3141 C   0  0  0  0  0
    5.9960    7.5072    2.2416 C   0  0  0  0  0
    5.9231    6.5746    4.5921 C   0  0  0  0  0
    4.4417   -0.8500    2.9405 Cl  0  0  0  0  0
    0.9296    2.3636   -0.3151 H   0  0  0  0  0
    2.1808    2.3243   -1.5789 H   0  0  0  0  0
    2.5115    3.0884   -0.0231 H   0  0  0  0  0
    1.8553    0.1140   -0.3523 H   0  0  0  0  0
    2.3898    0.8885    1.1295 H   0  0  0  0  0
    7.3569   -2.9106   -3.6502 H   0  0  0  0  0
    6.1053   -4.2552   -5.3024 H   0  0  0  0  0
    3.6340   -4.0514   -5.4448 H   0  0  0  0  0
    2.4320   -2.5096   -3.9321 H   0  0  0  0  0
    7.2235    0.2744    1.5380 H   0  0  0  0  0
    7.8343    1.4317    0.3412 H   0  0  0  0  0
    8.0425   -1.5845    0.0438 H   0  0  0  0  0
    9.3282   -0.4767    0.5382 H   0  0  0  0  0
    8.6601   -0.3543   -1.0879 H   0  0  0  0  0
    3.9912    2.5413    1.6451 H   0  0  0  0  0
    6.9330    3.0800    0.9925 H   0  0  0  0  0
    4.8022    4.7908    2.3417 H   0  0  0  0  0
    7.9989    9.0324    4.1393 H   0  0  0  0  0
   10.4647    9.2498    4.3665 H   0  0  0  0  0
   11.9463    7.3394    3.8231 H   0  0  0  0  0
   10.9971    5.1940    3.0350 H   0  0  0  0  0
    8.7026    3.5796    4.4093 H   0  0  0  0  0
    9.6877    3.2654    2.9544 H   0  0  0  0  0
    8.0407    2.6730    3.0512 H   0  0  0  0  0
    6.5209    7.5061    1.2783 H   0  0  0  0  0
    5.9770    8.5433    2.6000 H   0  0  0  0  0
    4.9582    7.2104    2.0549 H   0  0  0  0  0
    6.3976    5.9078    5.3230 H   0  0  0  0  0
    4.8868    6.2416    4.4642 H   0  0  0  0  0
    5.8944    7.5767    5.0358 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4 18  1  0  0  0
  4  5  2  0  0  0
  5 16  1  0  0  0
  5  6  1  0  0  0
  6 15  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  2  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
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 16 17  1  0  0  0
 16 43  1  0  0  0
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 18 19  2  0  0  0
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 19 20  1  0  0  0
 19 49  1  0  0  0
 20 21  2  0  0  0
 20 50  1  0  0  0
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 21 22  1  0  0  0
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 22 31  1  0  0  0
 23 28  1  0  0  0
 23 24  2  0  0  0
 24 25  1  0  0  0
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 26 27  1  0  0  0
 26 53  1  0  0  0
 27 28  2  0  0  0
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 28 29  1  0  0  0
 29 30  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
 30 57  1  0  0  0
 31 58  1  0  0  0
 31 59  1  0  0  0
 31 60  1  0  0  0
 32 61  1  0  0  0
 32 62  1  0  0  0
 32 63  1  0  0  0
M  CHG  2   5   1  33  -1
M  END

>  <Chemical Name>
CHEMBL278294

>  <PubChem CID>
44458826

>  <Formula>
C27H30ClN5

>  <Molecular Weight>
460.022000

>  <IUPAC Name>
1,3-diethyl-2-[(E,3Z)-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]imidazo[4,5-b]quinoxalin-3-ium;chloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)C=CC=C4C(C5=CC=CC=C5N4C)(C)C.[Cl-]

>  <Isomeric SMILES>
CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)/C=C/C=C\4/C(C5=CC=CC=C5N4C)(C)C.[Cl-]

>  <InChI Std. ID>
InChI=1S/C27H30N5.ClH/c1-6-31-24(32(7-2)26-25(31)28-20-14-9-10-15-21(20)29-26)18-12-17-23-27(3,4)19-13-8-11-16-22(19)30(23)5;/h8-18H,6-7H2,1-5H3;1H/q+1;/p-1

>  <InChI Key>
OEWOVUKXJDRRPE-UHFFFAOYSA-M

