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canSAR782303
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NAMES
    SMILES
    CCCN1C[C@H](CC#N)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21
    InChI
    InChI=1S/C18H24N2O2/c1-2-7-20-11-12(5-6-19)8-15-14-10-18(22)17(21)9-13(14)3-4-16(15)20/h9-10,12,15-16,21-22H,2-5,7-8,11H2,1H3/t12-,15-,16-/m1/s1
    MOLECULAR FORMULA
    C18H24N2O2
    CROSS REFERENCES
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    canSAR782303

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.18
    AlogP 3.14
    HBond donors 2
    HBond acceptors 4
    Atoms 46
    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 canSAR782303.