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canSAR1435375
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1
    InChI
    InChI=1S/C27H30N2O9/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3
    MOLECULAR FORMULA
    C27H30N2O9
    CROSS REFERENCES
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    canSAR1435375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 526.20
    AlogP 1.21
    HBond donors 7
    HBond acceptors 11
    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 canSAR1435375.