canSAR1650843
FEATURES
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NAMES
    SMILES
    CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H]2O[B-]3(OCc4cc(F)ccc43)OC21
    InChI
    InChI=1S/C18H18BFN5O4/c1-2-12-14-15(18(27-12)25-8-24-13-16(21)22-7-23-17(13)25)29-19(28-14)11-4-3-10(20)5-9(11)6-26-19/h3-5,7-8,12,14-15,18H,2,6H2,1H3,(H2,21,22,23)/q-1/t12-,14?,15+,18-,19?/m1/s1
    MOLECULAR FORMULA
    C18H18BFN5O4-
    CROSS REFERENCES
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    canSAR1650843
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight398.14
    AlogP1.02
    HBond donors2
    HBond acceptors9
    Atoms47
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1650843.