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canSAR1617660
FEATURES
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NAMES
    SMILES
    Cc1cc(C(=O)Nc2cccc3c2O[C@@H](CN(C)S(=O)(=O)c2ccccc2)[C@H](C)CN([C@@H](C)CO)C3=O)n(C)n1
    InChI
    InChI=1S/C28H35N5O6S/c1-18-15-33(20(3)17-34)28(36)22-12-9-13-23(29-27(35)24-14-19(2)30-32(24)5)26(22)39-25(18)16-31(4)40(37,38)21-10-7-6-8-11-21/h6-14,18,20,25,34H,15-17H2,1-5H3,(H,29,35)/t18-,20+,25+/m1/s1
    MOLECULAR FORMULA
    C28H35N5O6S
    CROSS REFERENCES
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    canSAR1617660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.23
    AlogP 2.52
    HBond donors 2
    HBond acceptors 11
    Atoms 75
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617660.