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canSAR924182
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NC(=S)NC(=O)c3cccc(Cl)c3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C29H25ClN2O8S/c1-36-21-7-14(8-22(37-2)26(21)33)23-16-9-19-20(40-12-39-19)10-17(16)25(18-11-38-28(35)24(18)23)31-29(41)32-27(34)13-4-3-5-15(30)6-13/h3-10,18,23-25,33H,11-12H2,1-2H3,(H2,31,32,34,41)/t18-,23+,24-,25+/m0/s1
    MOLECULAR FORMULA
    C29H25ClN2O8S
    CROSS REFERENCES
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    canSAR924182

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.10
    AlogP 4.07
    HBond donors 3
    HBond acceptors 10
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR924182.