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canSAR1688338
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NAMES
    SMILES
    Nc1ncnc2c1ncn2C1CC(O)C(COS(=O)(=O)NC(=O)c2ccccc2O)O1
    InChI
    InChI=1S/C17H18N6O7S/c18-15-14-16(20-7-19-15)23(8-21-14)13-5-11(25)12(30-13)6-29-31(27,28)22-17(26)9-3-1-2-4-10(9)24/h1-4,7-8,11-13,24-25H,5-6H2,(H,22,26)(H2,18,19,20)
    MOLECULAR FORMULA
    C17H18N6O7S
    CROSS REFERENCES
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    canSAR1688338

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.10
    AlogP -0.55
    HBond donors 5
    HBond acceptors 13
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688338.