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canSAR829626
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NAMES
    SMILES
    CCCO/N=C/C=C/[C@H]1CC[C@]2(O)C3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
    InChI
    InChI=1S/C25H41NO3/c1-4-16-29-26-15-5-6-18-9-14-25(28)22-8-7-19-17-20(27)10-12-23(19,2)21(22)11-13-24(18,25)3/h5-6,15,18-22,27-28H,4,7-14,16-17H2,1-3H3/b6-5+,26-15+/t18-,19+,20-,21?,22?,23-,24+,25-/m0/s1
    MOLECULAR FORMULA
    C25H41NO3
    CROSS REFERENCES
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    canSAR829626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.31
    AlogP 5.09
    HBond donors 2
    HBond acceptors 4
    Atoms 70
    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 canSAR829626.