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canSAR185961
FEATURES
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NAMES
    SMILES
    CCc1c(CC(N)=O)c2cc(SCCCC(=O)O)ccc2n1Cc1ccccc1
    InChI
    InChI=1S/C23H26N2O3S/c1-2-20-19(14-22(24)26)18-13-17(29-12-6-9-23(27)28)10-11-21(18)25(20)15-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,2,6,9,12,14-15H2,1H3,(H2,24,26)(H,27,28)
    MOLECULAR FORMULA
    C23H26N2O3S
    CROSS REFERENCES
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    canSAR185961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.17
    AlogP 4.24
    HBond donors 3
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR185961.