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canSAR34580
FEATURES
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NAMES
    SMILES
    CC1O[C@@H](O[C@H]2C[C@](O)(CO)Cc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)C[C@@H](O)[C@@H]1N1CCOCC1
    InChI
    InChI=1S/C29H33NO10/c1-14-24(30-6-8-38-9-7-30)18(32)10-20(39-14)40-19-12-29(37,13-31)11-17-21(19)28(36)23-22(27(17)35)25(33)15-4-2-3-5-16(15)26(23)34/h2-5,14,18-20,24,31-32,35-37H,6-13H2,1H3/t14?,18-,19+,20+,24-,29+/m1/s1
    MOLECULAR FORMULA
    C29H33NO10
    CROSS REFERENCES
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    canSAR34580

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.21
    AlogP 0.80
    HBond donors 5
    HBond acceptors 11
    Atoms 73
    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 canSAR34580.