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canSAR501847
FEATURES
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NAMES
    SMILES
    COc1ccc2oc3ccc(S(=O)(=O)N[C@@H]4[C@@H]5CC[C@@H](C5)[C@H]4C/C=C\CCCC(=O)O)cc3c2c1
    InChI
    InChI=1S/C27H31NO6S/c1-33-19-10-12-24-22(15-19)23-16-20(11-13-25(23)34-24)35(31,32)28-27-18-9-8-17(14-18)21(27)6-4-2-3-5-7-26(29)30/h2,4,10-13,15-18,21,27-28H,3,5-9,14H2,1H3,(H,29,30)/b4-2-/t17-,18+,21+,27+/m0/s1
    MOLECULAR FORMULA
    C27H31NO6S
    CROSS REFERENCES
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    canSAR501847

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.19
    AlogP 5.49
    HBond donors 2
    HBond acceptors 7
    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 canSAR501847.