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canSAR559771
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NAMES
    SMILES
    CC1CN(c2cnn(C/C=C/c3ccc(NC(=O)c4ccc5nonc5c4)cc3)c(=O)c2Cl)CC(C)N1
    InChI
    InChI=1S/C26H26ClN7O3/c1-16-14-33(15-17(2)29-16)23-13-28-34(26(36)24(23)27)11-3-4-18-5-8-20(9-6-18)30-25(35)19-7-10-21-22(12-19)32-37-31-21/h3-10,12-13,16-17,29H,11,14-15H2,1-2H3,(H,30,35)/b4-3+
    MOLECULAR FORMULA
    C26H26ClN7O3
    CROSS REFERENCES
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    canSAR559771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.18
    AlogP 3.59
    HBond donors 2
    HBond acceptors 10
    Atoms 63
    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 canSAR559771.