canSAR380791
FEATURES
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NAMES
    SMILES
    C=C1C[C@@]23O[C@]2(c2ccccc21)C1CC(OC(=O)[C@H](O)[C@@H](NC(=O)OCC)c2ccsc2)C3(C)C1(C)C
    InChI
    InChI=1S/C29H33NO6S/c1-6-34-25(33)30-22(17-11-12-37-15-17)23(31)24(32)35-21-13-20-26(3,4)27(21,5)28-14-16(2)18-9-7-8-10-19(18)29(20,28)36-28/h7-12,15,20-23,31H,2,6,13-14H2,1,3-5H3,(H,30,33)/t20?,21?,22-,23+,27?,28-,29+/m0/s1
    MOLECULAR FORMULA
    C29H33NO6S
    CROSS REFERENCES
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    canSAR380791
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight523.20
    AlogP4.96
    HBond donors2
    HBond acceptors7
    Atoms70
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR380791.