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canSAR846579
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NAMES
    SMILES
    CCOC(OCC)c1cn(C[C@@H]2Cc3c([nH]c4ccccc34)CN2)nn1
    InChI
    InChI=1S/C19H25N5O2/c1-3-25-19(26-4-2)18-12-24(23-22-18)11-13-9-15-14-7-5-6-8-16(14)21-17(15)10-20-13/h5-8,12-13,19-21H,3-4,9-11H2,1-2H3/t13-/m0/s1
    MOLECULAR FORMULA
    C19H25N5O2
    CROSS REFERENCES
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    canSAR846579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 355.20
    AlogP 2.55
    HBond donors 2
    HBond acceptors 7
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR846579.