canSAR415445
FEATURES
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NAMES
    SMILES
    CONc1nc(C#Cc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C20H18F3N5O5/c1-32-27-17-14-18(28(9-24-14)19-16(31)15(30)12(8-29)33-19)26-13(25-17)6-5-10-3-2-4-11(7-10)20(21,22)23/h2-4,7,9,12,15-16,19,29-31H,8H2,1H3,(H,25,26,27)/t12-,15-,16-,19-/m1/s1
    MOLECULAR FORMULA
    C20H18F3N5O5
    CROSS REFERENCES
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    canSAR415445
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight465.13
    AlogP0.83
    HBond donors4
    HBond acceptors10
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR415445.