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canSAR1248010
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NAMES
    SMILES
    COc1ncc(C[n+]2csc(CCOP(=O)([O-])OP(=O)(O)O)c2C)c(N)n1
    InChI
    InChI=1S/C12H18N4O8P2S/c1-8-10(3-4-23-26(20,21)24-25(17,18)19)27-7-16(8)6-9-5-14-12(22-2)15-11(9)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)
    MOLECULAR FORMULA
    C12H18N4O8P2S
    CROSS REFERENCES
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    canSAR1248010

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.03
    AlogP -0.09
    HBond donors 4
    HBond acceptors 12
    Atoms 45
    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 canSAR1248010.