canSAR2157744
FEATURES
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NAMES
    SMILES
    O=C(N[C@H]1CC[C@H](Oc2ccnc3c(Br)cccc23)CC1)c1ccc(F)c(F)c1
    InChI
    InChI=1S/C22H19BrF2N2O2/c23-17-3-1-2-16-20(10-11-26-21(16)17)29-15-7-5-14(6-8-15)27-22(28)13-4-9-18(24)19(25)12-13/h1-4,9-12,14-15H,5-8H2,(H,27,28)/t14-,15-
    MOLECULAR FORMULA
    C22H19BrF2N2O2
    CROSS REFERENCES
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    canSAR2157744
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight460.06
    AlogP5.40
    HBond donors1
    HBond acceptors4
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2157744.