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canSAR834537
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NAMES
    SMILES
    COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(=O)NC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)cccc12
    InChI
    InChI=1S/C32H34N4O4S/c1-40-28-15-22(36-41(2,38)39)10-11-27(28)34-29-23-6-3-4-9-26(23)33-30-24(29)7-5-8-25(30)31(37)35-32-16-19-12-20(17-32)14-21(13-19)18-32/h3-11,15,19-21,36H,12-14,16-18H2,1-2H3,(H,33,34)(H,35,37)/t19-,20+,21-,32?
    MOLECULAR FORMULA
    C32H34N4O4S
    CROSS REFERENCES
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    canSAR834537

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 570.23
    AlogP 6.21
    HBond donors 3
    HBond acceptors 8
    Atoms 75
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR834537.