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canSAR668789
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NAMES
    SMILES
    C#CCNc1nc(N)nc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C13H16N6O4/c1-2-3-15-10-7-11(18-13(14)17-10)19(5-16-7)12-9(22)8(21)6(4-20)23-12/h1,5-6,8-9,12,20-22H,3-4H2,(H3,14,15,17,18)/t6-,8-,9-,12?/m1/s1
    MOLECULAR FORMULA
    C13H16N6O4
    CROSS REFERENCES
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    canSAR668789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 320.12
    AlogP -1.93
    HBond donors 6
    HBond acceptors 10
    Atoms 39
    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 canSAR668789.