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canSAR1442173
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NAMES
    SMILES
    COc1cccc([C@@H]2CC=C(C(=O)O)[C@H](c3ccc(C)cc3)N2S(=O)(=O)c2ccc(C)cc2)c1
    InChI
    InChI=1S/C27H27NO5S/c1-18-7-11-20(12-8-18)26-24(27(29)30)15-16-25(21-5-4-6-22(17-21)33-3)28(26)34(31,32)23-13-9-19(2)10-14-23/h4-15,17,25-26H,16H2,1-3H3,(H,29,30)/t25-,26-/m0/s1
    MOLECULAR FORMULA
    C27H27NO5S
    CROSS REFERENCES
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    canSAR1442173

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.16
    AlogP 5.20
    HBond donors 1
    HBond acceptors 6
    Atoms 61
    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 canSAR1442173.