canSAR2079989
FEATURES
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NAMES
    SMILES
    CCn1nnc([C@H]2O[C@@H](n3cnc4c(N)nc(N[C@H](C)Cc5ccc(Br)cc5)nc43)[C@H](O)[C@@H]2O)n1
    InChI
    InChI=1S/C21H25BrN10O3/c1-3-32-29-18(28-30-32)16-14(33)15(34)20(35-16)31-9-24-13-17(23)26-21(27-19(13)31)25-10(2)8-11-4-6-12(22)7-5-11/h4-7,9-10,14-16,20,33-34H,3,8H2,1-2H3,(H3,23,25,26,27)/t10-,14+,15-,16+,20-/m1/s1
    MOLECULAR FORMULA
    C21H25BrN10O3
    CROSS REFERENCES
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    canSAR2079989
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight544.13
    AlogP1.21
    HBond donors5
    HBond acceptors13
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2079989.