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canSAR1975182
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NAMES
    SMILES
    Cc1cn(-c2cc(NC(=O)c3ccc(C)c(C#Cc4cnc(N5CCOCC5)nc4)c3)cc(C(F)(F)F)c2)cn1
    InChI
    InChI=1S/C29H25F3N6O2/c1-19-3-5-23(11-22(19)6-4-21-15-33-28(34-16-21)37-7-9-40-10-8-37)27(39)36-25-12-24(29(30,31)32)13-26(14-25)38-17-20(2)35-18-38/h3,5,11-18H,7-10H2,1-2H3,(H,36,39)
    MOLECULAR FORMULA
    C29H25F3N6O2
    CROSS REFERENCES
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    canSAR1975182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.20
    AlogP 4.79
    HBond donors 1
    HBond acceptors 8
    Atoms 65
    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 canSAR1975182.