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canSAR346545
FEATURES
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NAMES
    SMILES
    CCOC(=O)CC1OP(=O)(OCC2C=CC(n3cc(C)c(=O)[nH]c3=O)O2)Oc2cccc(Cl)c21
    InChI
    InChI=1S/C21H22ClN2O9P/c1-3-29-18(25)9-16-19-14(22)5-4-6-15(19)32-34(28,33-16)30-11-13-7-8-17(31-13)24-10-12(2)20(26)23-21(24)27/h4-8,10,13,16-17H,3,9,11H2,1-2H3,(H,23,26,27)
    MOLECULAR FORMULA
    C21H22ClN2O9P
    CROSS REFERENCES
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    canSAR346545

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.08
    AlogP 3.18
    HBond donors 1
    HBond acceptors 11
    Atoms 56
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR346545.