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canSAR11499
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NAMES
    SMILES
    Nc1nc2c(s1)CCCc1ccc(OP(=O)(O)O)cc1-2
    InChI
    InChI=1S/C12H13N2O4PS/c13-12-14-11-9-6-8(18-19(15,16)17)5-4-7(9)2-1-3-10(11)20-12/h4-6H,1-3H2,(H2,13,14)(H2,15,16,17)
    MOLECULAR FORMULA
    C12H13N2O4PS
    CROSS REFERENCES
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    canSAR11499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.03
    AlogP 2.35
    HBond donors 4
    HBond acceptors 6
    Atoms 33
    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 canSAR11499.