
 CHEMBL418678

 45 49  0  0  0  0  0  0  0  0999 V2000
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   -0.7166    1.2217    0.0065 C   0  0  0  0  0
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    0.6658   -1.2454   -0.5200 C   0  0  0  0  0
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    1.4460   -0.3959    1.6590 C   0  0  0  0  0
    2.0749   -1.7098    2.0796 C   0  0  0  0  0
    1.3332   -2.6440    2.8226 C   0  0  0  0  0
    1.9028   -3.8629    3.1947 C   0  0  0  0  0
    3.2125   -4.1475    2.8283 C   0  0  0  0  0
    3.9661   -3.2372    2.0981 C   0  0  0  0  0
    3.3993   -2.0171    1.7254 C   0  0  0  0  0
    3.7545   -5.3197    3.1826 F   0  0  0  0  0
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   -5.8652   -2.0260    0.3992 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL418678

>  <PubChem CID>
11793287

>  <Formula>
C20H19FN4S

>  <Molecular Weight>
366.458000

>  <IUPAC Name>


>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CC2=CC=C(C=C2)F)C3=NC4=C(N5C3=CC=C5)SC=C4

>  <Isomeric SMILES>
C1CN(CCN1CC2=CC=C(C=C2)F)C3=NC4=C(N5C3=CC=C5)SC=C4

>  <InChI Std. ID>
InChI=1S/C20H19FN4S/c21-16-5-3-15(4-6-16)14-23-9-11-24(12-10-23)19-18-2-1-8-25(18)20-17(22-19)7-13-26-20/h1-8,13H,9-12,14H2

>  <InChI Key>
ANJGZJUIHVVPCI-UHFFFAOYSA-N

