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canSAR1090901
FEATURES
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NAMES
    SMILES
    O=P(O)(O)C(Nc1ncnc2scc(-c3ccccc3)c12)P(=O)(O)O
    InChI
    InChI=1S/C13H13N3O6P2S/c17-23(18,19)13(24(20,21)22)16-11-10-9(8-4-2-1-3-5-8)6-25-12(10)15-7-14-11/h1-7,13H,(H,14,15,16)(H2,17,18,19)(H2,20,21,22)
    MOLECULAR FORMULA
    C13H13N3O6P2S
    CROSS REFERENCES
    1090901 logo

    canSAR1090901

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.00
    AlogP 2.41
    HBond donors 5
    HBond acceptors 9
    Atoms 38
    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 canSAR1090901.