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canSAR1509036
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NAMES
    SMILES
    C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(=O)CO)CC4)cc3OC(F)(F)F)ncc2C(F)(F)F)c1
    InChI
    InChI=1S/C27H25F6N7O4/c1-2-22(42)35-16-4-3-5-17(12-16)36-24-19(26(28,29)30)14-34-25(38-24)37-20-7-6-18(13-21(20)44-27(31,32)33)39-8-10-40(11-9-39)23(43)15-41/h2-7,12-14,41H,1,8-11,15H2,(H,35,42)(H2,34,36,37,38)
    MOLECULAR FORMULA
    C27H25F6N7O4
    CROSS REFERENCES
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    canSAR1509036

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 625.19
    AlogP 4.65
    HBond donors 4
    HBond acceptors 11
    Atoms 69
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1509036.