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canSAR2209065
FEATURES
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NAMES
    SMILES
    Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(C[C@@H](O)C(F)(F)F)CC1
    InChI
    InChI=1S/C29H26F5N9O2/c1-40-28(42-12-10-41(11-13-42)15-21(44)29(32,33)34)25(26(39-40)17-2-4-19(30)5-3-17)20-6-7-24-36-23(16-43(24)38-20)37-27(45)18-8-9-35-22(31)14-18/h2-9,14,16,21,44H,10-13,15H2,1H3,(H,37,45)/t21-/m1/s1
    MOLECULAR FORMULA
    C29H26F5N9O2
    CROSS REFERENCES
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    canSAR2209065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 627.21
    AlogP 3.77
    HBond donors 2
    HBond acceptors 11
    Atoms 71
    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 canSAR2209065.