canSAR2095746
FEATURES
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NAMES
    SMILES
    CO[C@@H](C)c1c(NC(=O)Nc2cnc(-n3nccn3)c(C(F)(F)F)c2)cnc2cc(Cl)nn12
    InChI
    InChI=1S/C18H15ClF3N9O2/c1-9(33-2)15-12(8-23-14-6-13(19)29-30(14)15)28-17(32)27-10-5-11(18(20,21)22)16(24-7-10)31-25-3-4-26-31/h3-9H,1-2H3,(H2,27,28,32)/t9-/m0/s1
    MOLECULAR FORMULA
    C18H15ClF3N9O2
    CROSS REFERENCES
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    canSAR2095746
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight481.10
    AlogP3.73
    HBond donors2
    HBond acceptors11
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095746.