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canSAR672327
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NAMES
    SMILES
    CCN1CCN(c2nc(Nc3ccc(F)cc3)nc(Nc3ccc(Nc4c5ccc(Cl)cc5nc5ccc(OC)cc45)cc3)n2)CC1
    InChI
    InChI=1S/C35H33ClFN9O/c1-3-45-16-18-46(19-17-45)35-43-33(39-25-7-5-23(37)6-8-25)42-34(44-35)40-26-11-9-24(10-12-26)38-32-28-14-4-22(36)20-31(28)41-30-15-13-27(47-2)21-29(30)32/h4-15,20-21H,3,16-19H2,1-2H3,(H,38,41)(H2,39,40,42,43,44)
    MOLECULAR FORMULA
    C35H33ClFN9O
    CROSS REFERENCES
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    canSAR672327

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 649.25
    AlogP 7.75
    HBond donors 3
    HBond acceptors 10
    Atoms 80
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR672327.