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canSAR2087197
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NAMES
    SMILES
    O=C(N[C@H]1CCCC[C@@H]1O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12
    InChI
    InChI=1S/C24H24N4O2/c29-22-8-2-1-6-20(22)27-24(30)18-15-28(21-7-4-12-26-23(18)21)14-16-9-10-19-17(13-16)5-3-11-25-19/h3-5,7,9-13,15,20,22,29H,1-2,6,8,14H2,(H,27,30)/t20-,22-/m0/s1
    MOLECULAR FORMULA
    C24H24N4O2
    CROSS REFERENCES
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    canSAR2087197

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.19
    AlogP 3.67
    HBond donors 2
    HBond acceptors 6
    Atoms 54
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2087197.