canSAR824061
FEATURES
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NAMES
    SMILES
    CC(=O)C[n+]1ccc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N/OC4CCCC4)c4csc(N)n4)[C@H]3SC2)cc1
    InChI
    InChI=1S/C26H28N6O6S3/c1-14(33)10-31-8-6-17(7-9-31)39-11-15-12-40-24-20(23(35)32(24)21(15)25(36)37)29-22(34)19(18-13-41-26(27)28-18)30-38-16-4-2-3-5-16/h6-9,13,16,20,24H,2-5,10-12H2,1H3,(H3-,27,28,29,34,36,37)/b30-19+/t20-,24-/m1/s1
    MOLECULAR FORMULA
    C26H28N6O6S3
    CROSS REFERENCES
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    canSAR824061
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight616.12
    AlogP0.46
    HBond donors3
    HBond acceptors12
    Atoms69
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824061.