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canSAR928574
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O[14CH3])cccc2C4=O)C[C@H](N)[C@@H]1O
    InChI
    InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1/i2+2
    MOLECULAR FORMULA
    C27H29NO11
    CROSS REFERENCES
    928574 logo

    canSAR928574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.18
    AlogP 0.00
    HBond donors 7
    HBond acceptors 12
    Atoms 68
    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 canSAR928574.