canSAR2100419
FEATURES
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NAMES
    SMILES
    O=C(c1ccccc1-n1nccn1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)no1
    InChI
    InChI=1S/C21H15F3N6O3/c22-21(23,24)32-17-8-4-2-6-14(17)18-27-19(33-28-18)16-9-12-29(16)20(31)13-5-1-3-7-15(13)30-25-10-11-26-30/h1-8,10-11,16H,9,12H2/t16-/m0/s1
    MOLECULAR FORMULA
    C21H15F3N6O3
    CROSS REFERENCES
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    canSAR2100419
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight456.12
    AlogP3.80
    HBond donors0
    HBond acceptors9
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2100419.