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canSAR2093330
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NAMES
    SMILES
    CC(=O)Nc1cc(Nc2cc(NC3CC3)n3ncc(C#N)c3n2)ccc1N1CC[C@H](N)C1
    InChI
    InChI=1S/C22H25N9O/c1-13(32)26-18-8-17(4-5-19(18)30-7-6-15(24)12-30)27-20-9-21(28-16-2-3-16)31-22(29-20)14(10-23)11-25-31/h4-5,8-9,11,15-16,28H,2-3,6-7,12,24H2,1H3,(H,26,32)(H,27,29)/t15-/m0/s1
    MOLECULAR FORMULA
    C22H25N9O
    CROSS REFERENCES
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    canSAR2093330

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.22
    AlogP 2.41
    HBond donors 5
    HBond acceptors 10
    Atoms 57
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2093330.