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canSAR2047825
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC/C=C(\C)CCC=C(C)C)c(OC)c2)ccc1O
    InChI
    InChI=1S/C31H36O6/c1-22(2)7-6-8-23(3)17-18-37-29-16-12-25(20-31(29)36-5)10-14-27(33)21-26(32)13-9-24-11-15-28(34)30(19-24)35-4/h7,9-17,19-20,34H,6,8,18,21H2,1-5H3/b13-9+,14-10+,23-17+
    MOLECULAR FORMULA
    C31H36O6
    CROSS REFERENCES
    2047825 logo

    canSAR2047825

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 504.25
    AlogP 6.74
    HBond donors 1
    HBond acceptors 6
    Atoms 73
    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 canSAR2047825.