
 CHEMBL143582

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.2692    0.7945   -4.6579 C   0  0  0  0  0
   -1.0863    0.9635   -4.3655 C   0  0  0  0  0
   -1.7459   -0.0909   -3.7221 C   0  0  0  0  0
   -1.1088   -1.2826   -3.3707 C   0  0  0  0  0
    0.2620   -1.4291   -3.6747 C   0  0  0  0  0
    0.9253   -0.3805   -4.3164 C   0  0  0  0  0
    2.2511   -0.4764   -4.6326 O   0  0  0  0  0
   -2.0844   -2.1214   -2.7411 C   0  0  0  0  0
   -3.2714   -1.4141   -2.7289 C   0  0  0  0  0
   -3.0567   -0.1995   -3.3205 N   0  0  0  0  0
   -1.8721   -3.5000   -2.1954 C   0  0  0  0  0
   -1.4190   -3.4826   -0.7347 C   0  0  0  0  0
   -1.2772   -4.8498   -0.2421 N   0  0  0  0  0
   -0.1232   -5.4178   -0.1177 C   0  0  0  0  0
    1.2342   -4.8098   -0.4674 C   0  0  0  0  0
    1.9176   -4.2611    0.7477 C   0  0  0  0  0
    1.7936   -2.9797    1.2508 C   0  0  0  0  0
    2.5672   -2.8762    2.3740 N   0  0  0  0  0
    3.2150   -4.0642    2.6158 C   0  0  0  0  0
    2.8355   -4.9522    1.6075 C   0  0  0  0  0
    3.3798   -6.2533    1.6235 C   0  0  0  0  0
    4.2618   -6.6086    2.6448 C   0  0  0  0  0
    4.6225   -5.7098    3.6414 C   0  0  0  0  0
    4.1029   -4.4119    3.6423 C   0  0  0  0  0
    4.7595   -7.8801    2.6278 O   0  0  0  0  0
   -0.1336   -6.6917    0.3928 N   0  0  0  0  0
    0.8159    1.5893   -5.1592 H   0  0  0  0  0
   -1.6020    1.8799   -4.6326 H   0  0  0  0  0
    0.7766   -2.3457   -3.4119 H   0  0  0  0  0
    2.5708   -1.3486   -4.3497 H   0  0  0  0  0
   -4.2502   -1.6766   -2.3493 H   0  0  0  0  0
   -3.7563    0.5183   -3.4487 H   0  0  0  0  0
   -1.1322   -4.0294   -2.8086 H   0  0  0  0  0
   -2.8034   -4.0745   -2.2843 H   0  0  0  0  0
   -2.1813   -2.9864   -0.1215 H   0  0  0  0  0
   -0.5172   -2.8772   -0.6129 H   0  0  0  0  0
    1.1357   -4.0427   -1.2403 H   0  0  0  0  0
    1.8521   -5.6009   -0.9109 H   0  0  0  0  0
    1.2123   -2.1333    0.9094 H   0  0  0  0  0
    2.6555   -2.0471    2.9451 H   0  0  0  0  0
    3.1290   -6.9753    0.8532 H   0  0  0  0  0
    5.3114   -5.9967    4.4307 H   0  0  0  0  0
    4.3821   -3.7015    4.4142 H   0  0  0  0  0
    5.3709   -7.9833    3.3756 H   0  0  0  0  0
   -1.0332   -6.9055    0.8119 H   0  0  0  0  0
    0.6398   -6.9122    1.0114 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6  7  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
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 11 34  1  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
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 14 26  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
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 21 22  2  0  0  0
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 26 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL143582

>  <PubChem CID>
15681426

>  <Formula>
C20H20N4O2

>  <Molecular Weight>
348.406000

>  <IUPAC Name>
2-(5-hydroxy-1H-indol-3-yl)-N'-[2-(5-hydroxy-1H-indol-3-yl)ethyl]ethanimidamide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN=C(CC3=CNC4=C3C=C(C=C4)O)N

>  <Isomeric SMILES>
C1=CC2=C(C=C1O)C(=CN2)CCN=C(CC3=CNC4=C3C=C(C=C4)O)N

>  <InChI Std. ID>
InChI=1S/C20H20N4O2/c21-20(7-13-11-24-19-4-2-15(26)9-17(13)19)22-6-5-12-10-23-18-3-1-14(25)8-16(12)18/h1-4,8-11,23-26H,5-7H2,(H2,21,22)

>  <InChI Key>
CZEQZLUEZALYQG-UHFFFAOYSA-N

