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canSAR50331
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](NS(=O)(=O)c3ccc(N=[N+]=[N-])cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O
    InChI
    InChI=1S/C27H24N4O9S/c1-36-21-7-13(8-22(37-2)26(21)32)23-16-9-19-20(40-12-39-19)10-17(16)25(18-11-38-27(33)24(18)23)30-41(34,35)15-5-3-14(4-6-15)29-31-28/h3-10,18,23-25,30,32H,11-12H2,1-2H3/t18-,23+,24-,25+/m0/s1
    MOLECULAR FORMULA
    C27H24N4O9S
    CROSS REFERENCES
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    canSAR50331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 580.13
    AlogP 4.03
    HBond donors 2
    HBond acceptors 13
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR50331.