canSAR820432
FEATURES
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NAMES
    SMILES
    COc1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
    InChI
    InChI=1S/C40H50ClN5O5S3/c1-29-34-27-30(41)17-20-38(34)52-40(29)54(49,50)43-31-18-19-37(51-4)36(28-31)46-25-23-45(24-26-46)22-10-8-6-5-7-9-21-42-53(47,48)39-16-12-13-32-33(39)14-11-15-35(32)44(2)3/h11-20,27-28,42-43H,5-10,21-26H2,1-4H3
    MOLECULAR FORMULA
    C40H50ClN5O5S3
    CROSS REFERENCES
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    canSAR820432
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight811.27
    AlogP8.33
    HBond donors2
    HBond acceptors10
    Atoms104
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820432.