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canSAR1638505
FEATURES
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NAMES
    SMILES
    CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C(CO)CO
    InChI
    InChI=1S/C29H31NO8/c1-4-5-7-19-14-22-23(15-30(19)20(16-31)17-32)26(33)29(2,27(34)25(22)24-8-6-13-37-24)38-28(35)18-9-11-21(36-3)12-10-18/h6,8-15,20,31-32H,4-5,7,16-17H2,1-3H3
    MOLECULAR FORMULA
    C29H31NO8
    CROSS REFERENCES
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    canSAR1638505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 521.20
    AlogP 3.44
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    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 canSAR1638505.