canSAR6088
FEATURES
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NAMES
    SMILES
    CCc1sc(CCc2cc(OCc3ccccc3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C
    InChI
    InChI=1S/C31H35ClN4O3S/c1-5-28-21(4)34-30(40-28)12-11-25-16-27(38-19-22-9-7-6-8-10-22)17-29(35-25)33-18-23-13-24(32)15-26(14-23)36-31(37)39-20(2)3/h6-10,13-17,20H,5,11-12,18-19H2,1-4H3,(H,33,35)(H,36,37)
    MOLECULAR FORMULA
    C31H35ClN4O3S
    CROSS REFERENCES
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    canSAR6088
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.21
    AlogP8.00
    HBond donors2
    HBond acceptors7
    Atoms75
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR6088.