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canSAR106599
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NAMES
    SMILES
    C=C(C)[C@H]1CC(=O)C2Oc3c(OC)ccc4c3C23CCN(C)C(C4)C13
    InChI
    InChI=1S/C21H25NO3/c1-11(2)13-10-15(23)20-21-7-8-22(3)14(18(13)21)9-12-5-6-16(24-4)19(25-20)17(12)21/h5-6,13-14,18,20H,1,7-10H2,2-4H3/t13-,14?,18?,20?,21?/m1/s1
    MOLECULAR FORMULA
    C21H25NO3
    CROSS REFERENCES
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    canSAR106599

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.18
    AlogP 2.74
    HBond donors 0
    HBond acceptors 4
    Atoms 50
    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 canSAR106599.