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canSAR838492
FEATURES
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NAMES
    SMILES
    Cc1cn([C@H]2C=C[C@@H](COP3(=O)OCc4cc(C=O)ccc4O3)O2)c(=O)[nH]c1=O
    InChI
    InChI=1S/C18H17N2O8P/c1-11-7-20(18(23)19-17(11)22)16-5-3-14(27-16)10-26-29(24)25-9-13-6-12(8-21)2-4-15(13)28-29/h2-8,14,16H,9-10H2,1H3,(H,19,22,23)/t14-,16+,29?/m0/s1
    MOLECULAR FORMULA
    C18H17N2O8P
    CROSS REFERENCES
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    canSAR838492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.07
    AlogP 1.85
    HBond donors 1
    HBond acceptors 10
    Atoms 46
    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 canSAR838492.