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canSAR1646485
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NAMES
    SMILES
    CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CCCC1CCCC1
    InChI
    InChI=1S/C21H33N3/c1-17(2)15-20-16-22-21(23-19-12-4-3-5-13-19)24(20)14-8-11-18-9-6-7-10-18/h3-5,12-13,17-18,20H,6-11,14-16H2,1-2H3,(H,22,23)/t20-/m0/s1
    MOLECULAR FORMULA
    C21H33N3
    CROSS REFERENCES
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    canSAR1646485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.27
    AlogP 5.16
    HBond donors 1
    HBond acceptors 3
    Atoms 57
    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 canSAR1646485.