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canSAR912720
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NAMES
    SMILES
    COc1cc(-c2nnc3n2CCCN3C(=O)C(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
    InChI
    InChI=1S/C25H25FN6O2/c1-16-14-30(15-27-16)21-10-7-19(13-22(21)34-3)23-28-29-25-31(23)11-4-12-32(25)24(33)17(2)18-5-8-20(26)9-6-18/h5-10,13-15,17H,4,11-12H2,1-3H3
    MOLECULAR FORMULA
    C25H25FN6O2
    CROSS REFERENCES
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    canSAR912720

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 460.20
    AlogP 4.13
    HBond donors 0
    HBond acceptors 8
    Atoms 59
    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 canSAR912720.