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canSAR348029
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)[C@@H](N)C(C)C)c(OC)c2)ccc1OC(=O)[C@@H](N)C(C)C
    InChI
    InChI=1S/C31H38N2O8/c1-18(2)28(32)30(36)40-24-13-9-20(15-26(24)38-5)7-11-22(34)17-23(35)12-8-21-10-14-25(27(16-21)39-6)41-31(37)29(33)19(3)4/h7-16,18-19,28-29H,17,32-33H2,1-6H3/b11-7+,12-8+/t28-,29-/m0/s1
    MOLECULAR FORMULA
    C31H38N2O8
    CROSS REFERENCES
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    canSAR348029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.26
    AlogP 3.74
    HBond donors 4
    HBond acceptors 10
    Atoms 79
    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 canSAR348029.