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canSAR504348
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NAMES
    SMILES
    Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCN(CC(C)C)C3)cc2)c2ccccc2n1
    InChI
    InChI=1S/C28H35N3O5S/c1-20(2)16-31-13-12-28(18-31,15-27(32)30-33)19-37(34,35)24-10-8-23(9-11-24)36-17-22-14-21(3)29-26-7-5-4-6-25(22)26/h4-11,14,20,33H,12-13,15-19H2,1-3H3,(H,30,32)
    MOLECULAR FORMULA
    C28H35N3O5S
    CROSS REFERENCES
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    canSAR504348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.23
    AlogP 4.14
    HBond donors 2
    HBond acceptors 8
    Atoms 72
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR504348.