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canSAR656821
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NAMES
    SMILES
    CC(C)(C)c1ccc(CC2(N)CCN(c3ncnc4[nH]c(=O)[nH]c34)CC2)cc1
    InChI
    InChI=1S/C21H28N6O/c1-20(2,3)15-6-4-14(5-7-15)12-21(22)8-10-27(11-9-21)18-16-17(23-13-24-18)26-19(28)25-16/h4-7,13H,8-12,22H2,1-3H3,(H2,23,24,25,26,28)
    MOLECULAR FORMULA
    C21H28N6O
    CROSS REFERENCES
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    canSAR656821

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.23
    AlogP 2.48
    HBond donors 4
    HBond acceptors 7
    Atoms 56
    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 canSAR656821.