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canSAR563862
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NAMES
    SMILES
    Cc1cccc(C[n+]2ccn(CCC(C(N)=O)(c3ccccc3)c3ccccc3)c2C)c1
    InChI
    InChI=1S/C28H29N3O/c1-22-10-9-11-24(20-22)21-31-19-18-30(23(31)2)17-16-28(27(29)32,25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-15,18-20H,16-17,21H2,1-2H3,(H-,29,32)/p+1
    MOLECULAR FORMULA
    C28H30N3O+
    CROSS REFERENCES
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    canSAR563862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.24
    AlogP 4.30
    HBond donors 2
    HBond acceptors 4
    Atoms 62
    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 canSAR563862.