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canSAR1370598
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NAMES
    SMILES
    Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1.[Cl-]
    InChI
    InChI=1S/C12H19N4O10P3S.ClH/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19;/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23);1H
    MOLECULAR FORMULA
    C12H20ClN4O10P3S
    CROSS REFERENCES
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    canSAR1370598

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.98
    AlogP -2.04
    HBond donors 6
    HBond acceptors 14
    Atoms 51
    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 canSAR1370598.