canSAR1643017
FEATURES
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NAMES
    SMILES
    Cc1cc(-c2cnn(CC(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
    InChI
    InChI=1S/C22H21F3N2O3/c1-13-6-17(15-8-26-27(10-15)9-14(11-28)12-29)20-16-4-2-3-5-18(16)21(30,19(20)7-13)22(23,24)25/h2-8,10,14,28-30H,9,11-12H2,1H3
    MOLECULAR FORMULA
    C22H21F3N2O3
    CROSS REFERENCES
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    canSAR1643017
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight418.15
    AlogP3.24
    HBond donors3
    HBond acceptors5
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1643017.