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canSAR1621509
FEATURES
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NAMES
    SMILES
    Cc1nc(/N=N\c2cc(S(=O)(=O)O)c3cc([N+](=O)[O-])cc(S(=O)(=O)O)c3c2)c(COP(=O)(O)O)c(C=O)c1O
    InChI
    InChI=1S/C18H15N4O14PS2/c1-8-17(24)13(6-23)14(7-36-37(27,28)29)18(19-8)21-20-9-2-11-12(15(3-9)38(30,31)32)4-10(22(25)26)5-16(11)39(33,34)35/h2-6,24H,7H2,1H3,(H2,27,28,29)(H,30,31,32)(H,33,34,35)/b21-20-
    MOLECULAR FORMULA
    C18H15N4O14PS2
    CROSS REFERENCES
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    canSAR1621509

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 605.98
    AlogP 2.49
    HBond donors 5
    HBond acceptors 18
    Atoms 54
    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 canSAR1621509.