
 CHEMBL337101

 44 48  0  0  0  0  0  0  0  0999 V2000
    0.9477    0.9601   -0.3728 C   0  0  0  0  0
   -0.5667    1.1580   -0.6268 C   0  0  0  0  0
   -1.1682   -0.0463   -1.2296 N   0  0  0  0  0
   -0.8547   -1.2772   -0.4728 C   0  0  0  0  0
    0.6621   -1.4105   -0.2226 C   0  0  0  0  0
    1.3017   -0.2409    0.4259 N   0  0  0  0  0
    0.8853   -0.0577    1.8301 C   0  0  0  0  0
    1.2796   -1.1950    2.7337 C   0  0  0  0  0
    2.5409   -1.6903    3.0060 C   0  0  0  0  0
    2.5156   -2.7457    3.9641 C   0  0  0  0  0
    1.2366   -3.0267    4.3883 C   0  0  0  0  0
    0.0758   -2.0279    3.6313 S   0  0  0  0  0
   -2.4893    0.0707   -1.6465 C   0  0  0  0  0
   -3.4294    0.3699   -0.7868 N   0  0  0  0  0
   -4.7744    0.4570   -1.2266 C   0  0  0  0  0
   -5.1881    0.2340   -2.5465 C   0  0  0  0  0
   -6.4704    0.3048   -2.9962 N   0  0  0  0  0
   -7.3985    0.6205   -2.0703 C   0  0  0  0  0
   -7.1049    0.8649   -0.7360 C   0  0  0  0  0
   -5.7760    0.7793   -0.3145 C   0  0  0  0  0
   -4.1497   -0.0720   -3.4426 N   0  0  0  0  0
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    1.1581   -1.5579   -1.1922 H   0  0  0  0  0
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    1.3867    0.8371    2.2243 H   0  0  0  0  0
    3.4406   -1.3044    2.5410 H   0  0  0  0  0
    3.3913   -3.2690    4.3275 H   0  0  0  0  0
    0.9248   -3.7701    5.1090 H   0  0  0  0  0
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   -0.9911   -0.5356   -4.1484 H   0  0  0  0  0
   -2.6697   -0.7493   -6.2800 H   0  0  0  0  0
   -5.1791   -0.3173   -5.3001 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 26  1  0  0  0
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  3 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL337101

>  <PubChem CID>
10689158

>  <Formula>
C19H19N5S

>  <Molecular Weight>
349.456000

>  <IUPAC Name>


>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=CS2)C3=NC4=C(N=CC=C4)N5C3=CC=C5

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=CS2)C3=NC4=C(N=CC=C4)N5C3=CC=C5

>  <InChI Std. ID>
InChI=1S/C19H19N5S/c1-5-16-18(20-7-1)24-8-2-6-17(24)19(21-16)23-11-9-22(10-12-23)14-15-4-3-13-25-15/h1-8,13H,9-12,14H2

>  <InChI Key>
FBZIPLZZCYHKRT-UHFFFAOYSA-N

