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canSAR563633
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NAMES
    SMILES
    Cc1cccc(C)c1C(=O)Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1
    InChI
    InChI=1S/C25H33N3O2/c1-18-8-7-9-19(2)23(18)25(30)26-22-14-20(16-27-10-3-4-11-27)24(29)21(15-22)17-28-12-5-6-13-28/h7-9,14-15,29H,3-6,10-13,16-17H2,1-2H3,(H,26,30)
    MOLECULAR FORMULA
    C25H33N3O2
    CROSS REFERENCES
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    canSAR563633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.26
    AlogP 4.45
    HBond donors 2
    HBond acceptors 5
    Atoms 63
    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 canSAR563633.