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canSAR1067891
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NAMES
    SMILES
    CC1CCCN(c2cc(NCCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)C1
    InChI
    InChI=1S/C24H25N3O4/c1-14-6-5-11-27(13-14)18-12-17(25-10-4-9-19(28)29)20-21-22(18)26-31-24(21)16-8-3-2-7-15(16)23(20)30/h2-3,7-8,12,14,25H,4-6,9-11,13H2,1H3,(H,28,29)
    MOLECULAR FORMULA
    C24H25N3O4
    CROSS REFERENCES
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    canSAR1067891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.18
    AlogP 4.55
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1067891.