canSAR1387965
FEATURES
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NAMES
    SMILES
    COCc1cnc2n1CCN(C(=O)c1ccc3ccccc3n1)C2C.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C19H20N4O2.C2HF3O2/c1-13-18-20-11-15(12-25-2)23(18)10-9-22(13)19(24)17-8-7-14-5-3-4-6-16(14)21-17;3-2(4,5)1(6)7/h3-8,11,13H,9-10,12H2,1-2H3;(H,6,7)
    MOLECULAR FORMULA
    C21H21F3N4O4
    CROSS REFERENCES
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    canSAR1387965
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight450.15
    AlogP3.43
    HBond donors1
    HBond acceptors8
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387965.