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canSAR1094939
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NAMES
    SMILES
    CC(C)[C@@H](CO)Nc1nc(Nc2ccnnc2)c2ncn(C(C)C)c2n1
    InChI
    InChI=1S/C17H24N8O/c1-10(2)13(8-26)22-17-23-15(21-12-5-6-19-20-7-12)14-16(24-17)25(9-18-14)11(3)4/h5-7,9-11,13,26H,8H2,1-4H3,(H2,19,21,22,23,24)/t13-/m1/s1
    MOLECULAR FORMULA
    C17H24N8O
    CROSS REFERENCES
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    canSAR1094939

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 356.21
    AlogP 2.37
    HBond donors 3
    HBond acceptors 9
    Atoms 50
    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 canSAR1094939.