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canSAR1012354
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NAMES
    SMILES
    CCCOc1ccc(C(SC(C)(C)[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
    InChI
    InChI=1S/C27H31NO3S/c1-4-19-31-23-17-15-22(16-18-23)27(20-11-7-5-8-12-20,21-13-9-6-10-14-21)32-26(2,3)24(28)25(29)30/h5-18,24H,4,19,28H2,1-3H3,(H,29,30)/t24-/m1/s1
    MOLECULAR FORMULA
    C27H31NO3S
    CROSS REFERENCES
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    canSAR1012354

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.20
    AlogP 5.69
    HBond donors 3
    HBond acceptors 4
    Atoms 63
    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 canSAR1012354.