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canSAR1142341
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NAMES
    SMILES
    Cc1c(C)c2c(c(C)c1OCC(=O)O)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O2
    InChI
    InChI=1S/C31H52O4/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-31(8)19-17-27-26(7)29(34-20-28(32)33)24(5)25(6)30(27)35-31/h21-23H,9-20H2,1-8H3,(H,32,33)
    MOLECULAR FORMULA
    C31H52O4
    CROSS REFERENCES
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    canSAR1142341

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.39
    AlogP 8.60
    HBond donors 1
    HBond acceptors 4
    Atoms 87
    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 canSAR1142341.