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canSAR2097354
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NAMES
    SMILES
    CC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c2C)CC1
    InChI
    InChI=1S/C22H23ClN8O/c1-14-18(12-26-31(14)16-6-9-29(10-7-16)15(2)32)27-22-25-11-17(23)21(28-22)19-13-24-20-5-3-4-8-30(19)20/h3-5,8,11-13,16H,6-7,9-10H2,1-2H3,(H,25,27,28)
    MOLECULAR FORMULA
    C22H23ClN8O
    CROSS REFERENCES
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    canSAR2097354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.17
    AlogP 3.88
    HBond donors 1
    HBond acceptors 9
    Atoms 55
    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 canSAR2097354.