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canSAR1059502
FEATURES
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NAMES
    SMILES
    C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O)C1)C(=O)C=C(NCCc1ccc(O)cc1)C3=O
    InChI
    InChI=1S/C23H23NO7/c1-23(31)9-13-17(16(27)10-23)22(30)18-15(26)8-14(21(29)19(18)20(13)28)24-7-6-11-2-4-12(25)5-3-11/h2-5,8,16,24-25,27-28,30-31H,6-7,9-10H2,1H3/t16-,23-/m0/s1
    MOLECULAR FORMULA
    C23H23NO7
    CROSS REFERENCES
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    canSAR1059502

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.15
    AlogP 1.63
    HBond donors 6
    HBond acceptors 8
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1059502.