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canSAR1521761
FEATURES
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NAMES
    SMILES
    CCc1cc2c(=O)n(CC(O)C(C)(C)C)c(=O)n(Cc3ccc(-c4ccccc4-c4nc(=O)o[nH]4)cc3)c2s1
    InChI
    InChI=1S/C29H30N4O5S/c1-5-19-14-22-25(35)32(16-23(34)29(2,3)4)28(37)33(26(22)39-19)15-17-10-12-18(13-11-17)20-8-6-7-9-21(20)24-30-27(36)38-31-24/h6-14,23,34H,5,15-16H2,1-4H3,(H,30,31,36)
    MOLECULAR FORMULA
    C29H30N4O5S
    CROSS REFERENCES
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    canSAR1521761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.19
    AlogP 4.25
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1521761.