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canSAR784506
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NAMES
    SMILES
    CN(C)CCO/N=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/C25H44N2O3/c1-23-11-8-20(28)17-19(23)5-6-22-21(23)9-12-24(2)18(7-13-25(22,24)29)10-14-26-30-16-15-27(3)4/h14,18-22,28-29H,5-13,15-17H2,1-4H3/b26-14+/t18-,19+,20-,21?,22?,23-,24+,25-/m0/s1
    MOLECULAR FORMULA
    C25H44N2O3
    CROSS REFERENCES
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    canSAR784506

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.34
    AlogP 4.08
    HBond donors 2
    HBond acceptors 5
    Atoms 74
    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 canSAR784506.