canSAR2080322
FEATURES
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NAMES
    SMILES
    O=c1[nH]ccc(N[C@H]2CC[C@@H](NCC(F)(F)F)CC2)c1-c1nc2ccccc2[nH]1
    InChI
    InChI=1S/C20H22F3N5O/c21-20(22,23)11-25-12-5-7-13(8-6-12)26-16-9-10-24-19(29)17(16)18-27-14-3-1-2-4-15(14)28-18/h1-4,9-10,12-13,25H,5-8,11H2,(H,27,28)(H2,24,26,29)/t12-,13+
    MOLECULAR FORMULA
    C20H22F3N5O
    CROSS REFERENCES
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    canSAR2080322
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight405.18
    AlogP3.79
    HBond donors4
    HBond acceptors6
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080322.