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canSAR1638777
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NAMES
    SMILES
    CC(C)c1ccccc1SC1C(=O)CC(CCCCC(N)=O)(c2ccccc2)OC1=O
    InChI
    InChI=1S/C25H29NO4S/c1-17(2)19-12-6-7-13-21(19)31-23-20(27)16-25(30-24(23)29,15-9-8-14-22(26)28)18-10-4-3-5-11-18/h3-7,10-13,17,23H,8-9,14-16H2,1-2H3,(H2,26,28)
    MOLECULAR FORMULA
    C25H29NO4S
    CROSS REFERENCES
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    canSAR1638777

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.18
    AlogP 4.73
    HBond donors 2
    HBond acceptors 5
    Atoms 60
    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 canSAR1638777.