canSAR737594
FEATURES
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NAMES
    SMILES
    O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)c3cccc(-c4ccccc4)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
    InChI
    InChI=1S/C44H37ClN2O5S/c45-36-21-24-41-40(30-36)39(26-28-52-37-22-19-34(20-23-37)44(48)49)42(47(41)43(32-13-6-2-7-14-32)33-15-8-3-9-16-33)25-27-46-53(50,51)38-18-10-17-35(29-38)31-11-4-1-5-12-31/h1-24,29-30,43,46H,25-28H2,(H,48,49)
    MOLECULAR FORMULA
    C44H37ClN2O5S
    CROSS REFERENCES
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    canSAR737594
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight740.21
    AlogP9.44
    HBond donors2
    HBond acceptors7
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR737594.