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canSAR1086005
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NAMES
    SMILES
    CC[C@@H](CO)Nc1nc(Nc2cccnc2)c2ncn(C(C)C)c2n1
    InChI
    InChI=1S/C17H23N7O/c1-4-12(9-25)21-17-22-15(20-13-6-5-7-18-8-13)14-16(23-17)24(10-19-14)11(2)3/h5-8,10-12,25H,4,9H2,1-3H3,(H2,20,21,22,23)/t12-/m0/s1
    MOLECULAR FORMULA
    C17H23N7O
    CROSS REFERENCES
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    canSAR1086005

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.20
    AlogP 2.73
    HBond donors 3
    HBond acceptors 8
    Atoms 48
    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 canSAR1086005.