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canSAR843597
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NAMES
    SMILES
    CCO[C@]12CCN3C[C@@H](CC)[C@@H](/C(=C\OC)C(=O)OC)C[C@H]3C1=Nc1cccc(OC)c12
    InChI
    InChI=1S/C25H34N2O5/c1-6-16-14-27-12-11-25(32-7-2)22-19(9-8-10-21(22)30-4)26-23(25)20(27)13-17(16)18(15-29-3)24(28)31-5/h8-10,15-17,20H,6-7,11-14H2,1-5H3/b18-15+/t16-,17+,20+,25+/m1/s1
    MOLECULAR FORMULA
    C25H34N2O5
    CROSS REFERENCES
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    canSAR843597

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.25
    AlogP 3.84
    HBond donors 0
    HBond acceptors 7
    Atoms 66
    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 canSAR843597.