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canSAR2019331
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NAMES
    SMILES
    CC(C)Nc1cc(-n2ncc3cc(C#N)c(N)nc32)ncc1C(=O)NC1CCCCC1
    InChI
    InChI=1S/C22H26N8O/c1-13(2)27-18-9-19(25-12-17(18)22(31)28-16-6-4-3-5-7-16)30-21-15(11-26-30)8-14(10-23)20(24)29-21/h8-9,11-13,16H,3-7H2,1-2H3,(H2,24,29)(H,25,27)(H,28,31)
    MOLECULAR FORMULA
    C22H26N8O
    CROSS REFERENCES
    2019331 logo

    canSAR2019331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.22
    AlogP 3.15
    HBond donors 4
    HBond acceptors 9
    Atoms 57
    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 canSAR2019331.