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canSAR653570
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NAMES
    SMILES
    O=C(NCc1cccnc1)Nc1ccc(N2CCC3(CCc4c(cccc4C(F)(F)F)O3)CC2)nn1
    InChI
    InChI=1S/C25H25F3N6O2/c26-25(27,28)19-4-1-5-20-18(19)8-9-24(36-20)10-13-34(14-11-24)22-7-6-21(32-33-22)31-23(35)30-16-17-3-2-12-29-15-17/h1-7,12,15H,8-11,13-14,16H2,(H2,30,31,32,35)
    MOLECULAR FORMULA
    C25H25F3N6O2
    CROSS REFERENCES
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    canSAR653570

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.20
    AlogP 4.58
    HBond donors 2
    HBond acceptors 8
    Atoms 61
    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 canSAR653570.