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canSAR169114
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NAMES
    SMILES
    CC(C)(C)c1ccc(C(CNCCc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
    InChI
    InChI=1S/C30H45N3/c1-30(2,3)27-16-14-26(15-17-27)29(24-31-19-18-25-10-6-4-7-11-25)33-22-20-32(21-23-33)28-12-8-5-9-13-28/h4,6-7,10-11,14-17,28-29,31H,5,8-9,12-13,18-24H2,1-3H3
    MOLECULAR FORMULA
    C30H45N3
    CROSS REFERENCES
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    canSAR169114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.36
    AlogP 5.81
    HBond donors 1
    HBond acceptors 3
    Atoms 78
    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 canSAR169114.