canSAR1932152
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(O)CO)C[C@H]3OC1CC2C(OC3COCC(C#N)N32)C(C)O1
    InChI
    InChI=1S/C32H34N2O12/c1-13-31-17(34-14(9-33)11-43-12-21(34)46-31)6-22(44-13)45-19-8-32(41,20(36)10-35)7-16-24(19)30(40)26-25(28(16)38)27(37)15-4-3-5-18(42-2)23(15)29(26)39/h3-5,13-14,17,19-22,31,35-36,38,40-41H,6-8,10-12H2,1-2H3/t13?,14?,17?,19-,20?,21?,22?,31?,32-/m1/s1
    MOLECULAR FORMULA
    C32H34N2O12
    CROSS REFERENCES
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    canSAR1932152
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight638.21
    AlogP0.42
    HBond donors5
    HBond acceptors14
    Atoms80
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1932152.