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canSAR1015569
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NAMES
    SMILES
    CCCCCc1ccc(C(SC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1
    InChI
    InChI=1S/C27H31NO2S/c1-2-3-6-11-21-16-18-24(19-17-21)27(22-12-7-4-8-13-22,23-14-9-5-10-15-23)31-20-25(28)26(29)30/h4-5,7-10,12-19,25H,2-3,6,11,20,28H2,1H3,(H,29,30)/t25-/m0/s1
    MOLECULAR FORMULA
    C27H31NO2S
    CROSS REFERENCES
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    canSAR1015569

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.21
    AlogP 5.86
    HBond donors 3
    HBond acceptors 3
    Atoms 62
    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 canSAR1015569.