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canSAR1635780
FEATURES
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NAMES
    SMILES
    Cc1nc(N=Nc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O
    InChI
    InChI=1S/C14H14N3O12PS2/c1-7-13(19)9(5-18)10(6-29-30(20,21)22)14(15-7)17-16-11-3-2-8(31(23,24)25)4-12(11)32(26,27)28/h2-5,19H,6H2,1H3,(H2,20,21,22)(H,23,24,25)(H,26,27,28)
    MOLECULAR FORMULA
    C14H14N3O12PS2
    CROSS REFERENCES
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    canSAR1635780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.98
    AlogP 1.43
    HBond donors 5
    HBond acceptors 15
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1635780.