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canSAR564139
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NAMES
    SMILES
    CN(C)CCNc1c2ccccc2[n+](C)c2c1[nH]c1ccccc12
    InChI
    InChI=1S/C20H22N4/c1-23(2)13-12-21-18-15-9-5-7-11-17(15)24(3)20-14-8-4-6-10-16(14)22-19(18)20/h4-11H,12-13H2,1-3H3,(H,21,22)/p+1
    MOLECULAR FORMULA
    C20H23N4+
    CROSS REFERENCES
    564139 logo

    canSAR564139

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 319.19
    AlogP 3.27
    HBond donors 2
    HBond acceptors 4
    Atoms 47
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564139.