canSAR542842
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)C1=C(C2=O)C(O)C2C[C@@](O)(C(=O)CO)C[C@H](OC3CC(N)C(O)C(C)O3)C2C1O.Cl
    InChI
    InChI=1S/C27H33NO11.ClH/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;/h3-5,10,12-13,15,17,19,22,24,26,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10?,12?,13?,15-,17?,19?,22?,24?,26?,27-;/m0./s1
    MOLECULAR FORMULA
    C27H34ClNO11
    CROSS REFERENCES
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    canSAR542842
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight583.18
    AlogP-0.94
    HBond donors7
    HBond acceptors12
    Atoms74
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542842.