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canSAR1087125
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NAMES
    SMILES
    CC[C@H](CO)Nc1nc(Nc2ncccn2)c2ncn(C(C)C)c2n1
    InChI
    InChI=1S/C16H22N8O/c1-4-11(8-25)20-16-22-13(21-15-17-6-5-7-18-15)12-14(23-16)24(9-19-12)10(2)3/h5-7,9-11,25H,4,8H2,1-3H3,(H2,17,18,20,21,22,23)/t11-/m1/s1
    MOLECULAR FORMULA
    C16H22N8O
    CROSS REFERENCES
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    canSAR1087125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.19
    AlogP 2.12
    HBond donors 3
    HBond acceptors 9
    Atoms 47
    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 canSAR1087125.