canSAR1649208
FEATURES
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NAMES
    SMILES
    Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)Cn4nc(C(F)F)c(Cl)c4C)C3SC2)s1
    InChI
    InChI=1S/C18H17ClF2N6O4S3/c1-6-10(19)11(14(20)21)25-26(6)3-9(28)22-12-15(29)27-13(17(30)31)8(4-32-16(12)27)5-33-18-24-23-7(2)34-18/h12,14,16H,3-5H2,1-2H3,(H,22,28)(H,30,31)
    MOLECULAR FORMULA
    C18H17ClF2N6O4S3
    CROSS REFERENCES
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    canSAR1649208
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight550.01
    AlogP2.47
    HBond donors2
    HBond acceptors10
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649208.