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canSAR564419
FEATURES
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NAMES
    SMILES
    CCCC(NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1)c1ccccc1
    InChI
    InChI=1S/C31H34N2O6/c1-3-7-25(20-8-5-4-6-9-20)32-28(34)18-33-17-24(22-12-15-26-27(16-22)39-19-38-26)29(31(35)36)30(33)21-10-13-23(37-2)14-11-21/h4-6,8-16,24-25,29-30H,3,7,17-19H2,1-2H3,(H,32,34)(H,35,36)/t24-,25?,29-,30+/m1/s1
    MOLECULAR FORMULA
    C31H34N2O6
    CROSS REFERENCES
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    canSAR564419

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.24
    AlogP 4.92
    HBond donors 2
    HBond acceptors 8
    Atoms 73
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR564419.