
 CHEMBL65669

 45 49  0  0  0  0  0  0  0  0999 V2000
   -0.0389   -1.5496   -1.0100 C   0  0  0  0  0
    1.0206   -2.5239   -0.7561 N   0  0  0  0  0
    1.1463   -3.4961   -1.8622 C   0  0  0  0  0
    1.7735   -2.9425   -3.1609 C   0  0  0  0  0
    3.0783   -2.3054   -2.8912 N   0  0  0  0  0
    2.9843   -1.2848   -1.8223 C   0  0  0  0  0
    2.3291   -1.8645   -0.5506 C   0  0  0  0  0
    3.8985   -2.0113   -3.9844 C   0  0  0  0  0
    4.2211   -0.7519   -4.2053 N   0  0  0  0  0
    5.0050   -0.4831   -5.2886 C   0  0  0  0  0
    5.5168   -1.3798   -6.1933 C   0  0  0  0  0
    6.3049   -0.8029   -7.2151 C   0  0  0  0  0
    6.3837    0.5752   -7.0703 C   0  0  0  0  0
    5.4733    1.1031   -5.6994 S   0  0  0  0  0
    7.0860    1.5516   -7.9235 C   0  0  0  0  0
    7.6874    2.7048   -7.3940 C   0  0  0  0  0
    8.3498    3.6163   -8.2221 C   0  0  0  0  0
    8.4282    3.3857   -9.5925 C   0  0  0  0  0
    7.8458    2.2440  -10.1360 C   0  0  0  0  0
    7.1805    1.3347   -9.3077 C   0  0  0  0  0
    5.1960   -2.7265   -5.9620 N   0  0  0  0  0
    4.4161   -3.0606   -4.8739 C   0  0  0  0  0
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    8.9421    4.0949  -10.2357 H   0  0  0  0  0
    7.9040    2.0608  -11.2057 H   0  0  0  0  0
    6.7232    0.4587   -9.7623 H   0  0  0  0  0
    3.8368   -5.0310   -4.0853 H   0  0  0  0  0
    5.1523   -5.9774   -6.2585 H   0  0  0  0  0
    6.1450   -3.8002   -7.5521 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL65669

>  <PubChem CID>
10665419

>  <Formula>
C20H20N4S

>  <Molecular Weight>
348.468000

>  <IUPAC Name>


>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCN(CC1)C2=NC3=C(C=C(S3)C4=CC=CC=C4)N5C2=CC=C5

>  <Isomeric SMILES>
CN1CCN(CC1)C2=NC3=C(C=C(S3)C4=CC=CC=C4)N5C2=CC=C5

>  <InChI Std. ID>
InChI=1S/C20H20N4S/c1-22-10-12-23(13-11-22)19-16-8-5-9-24(16)17-14-18(25-20(17)21-19)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3

>  <InChI Key>
DRJDHULKURBTLQ-UHFFFAOYSA-N

