canSAR2062974
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(-c2ccccc2)nc(SCc2ccc(C(=O)/C=C(\O)C(=O)O)cc2)nc1-c1ccccc1
    InChI
    InChI=1S/C30H24N2O6S/c1-2-38-29(37)25-26(21-9-5-3-6-10-21)31-30(32-27(25)22-11-7-4-8-12-22)39-18-19-13-15-20(16-14-19)23(33)17-24(34)28(35)36/h3-17,34H,2,18H2,1H3,(H,35,36)/b24-17-
    MOLECULAR FORMULA
    C30H24N2O6S
    CROSS REFERENCES
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    canSAR2062974
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight540.14
    AlogP5.99
    HBond donors2
    HBond acceptors8
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062974.