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canSAR395231
FEATURES
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NAMES
    SMILES
    Cc1cn(C2C=CC(COP3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C21H19N2O7P/c1-13-10-23(21(25)22-20(13)24)19-9-7-15(29-19)11-27-31(26)28-12-17-16-5-3-2-4-14(16)6-8-18(17)30-31/h2-10,15,19H,11-12H2,1H3,(H,22,24,25)
    MOLECULAR FORMULA
    C21H19N2O7P
    CROSS REFERENCES
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    canSAR395231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.09
    AlogP 3.19
    HBond donors 1
    HBond acceptors 9
    Atoms 50
    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 canSAR395231.