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canSAR399346
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NAMES
    SMILES
    CC(=O)O[C@H]1CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@@]21C
    InChI
    InChI=1S/C21H26O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h4-5,8,10,12,16-19H,6-7,9,11H2,1-3H3/t16?,17?,18?,19-,20-,21-/m0/s1
    MOLECULAR FORMULA
    C21H26O3
    CROSS REFERENCES
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    canSAR399346

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 326.19
    AlogP 4.00
    HBond donors 0
    HBond acceptors 3
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR399346.