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canSAR990647
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NAMES
    SMILES
    Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N[C@@H](C4CC4)C(F)(F)F)c23)cn1
    InChI
    InChI=1S/C21H19F3N6O/c1-30-9-12(7-27-30)11-4-5-13-15(6-11)28-17-14(19(25)31)8-26-20(16(13)17)29-18(10-2-3-10)21(22,23)24/h4-10,18,28H,2-3H2,1H3,(H2,25,31)(H,26,29)/t18-/m0/s1
    MOLECULAR FORMULA
    C21H19F3N6O
    CROSS REFERENCES
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    canSAR990647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.16
    AlogP 3.97
    HBond donors 4
    HBond acceptors 7
    Atoms 50
    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 canSAR990647.