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canSAR1768316
FEATURES
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NAMES
    SMILES
    CCCCCCN1C(=O)C(=NNC(=O)c2cccc3ccccc23)c2ccccc21
    InChI
    InChI=1S/C25H25N3O2/c1-2-3-4-9-17-28-22-16-8-7-14-21(22)23(25(28)30)26-27-24(29)20-15-10-12-18-11-5-6-13-19(18)20/h5-8,10-16H,2-4,9,17H2,1H3,(H,27,29)
    MOLECULAR FORMULA
    C25H25N3O2
    CROSS REFERENCES
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    canSAR1768316

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.19
    AlogP 4.90
    HBond donors 1
    HBond acceptors 5
    Atoms 55
    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 canSAR1768316.