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canSAR674721
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NAMES
    SMILES
    Cc1nc(Cc2ccccc2)n(CCc2ccccc2)c1-c1cccc(/C=C/C(=O)NO)c1
    InChI
    InChI=1S/C28H27N3O2/c1-21-28(25-14-8-13-24(19-25)15-16-27(32)30-33)31(18-17-22-9-4-2-5-10-22)26(29-21)20-23-11-6-3-7-12-23/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+
    MOLECULAR FORMULA
    C28H27N3O2
    CROSS REFERENCES
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    canSAR674721

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.21
    AlogP 5.21
    HBond donors 2
    HBond acceptors 5
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR674721.