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canSAR467897
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NAMES
    SMILES
    CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2nc3c(s2)CCC3)c1
    InChI
    InChI=1S/C32H37NO3S2/c1-31(2,36)25-10-4-3-8-23(25)14-15-27(37-21-32(17-18-32)20-30(34)35)24-9-5-7-22(19-24)13-16-29-33-26-11-6-12-28(26)38-29/h3-5,7-10,13,16,19,27,36H,6,11-12,14-15,17-18,20-21H2,1-2H3,(H,34,35)/b16-13+/t27-/m1/s1
    MOLECULAR FORMULA
    C32H37NO3S2
    CROSS REFERENCES
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    canSAR467897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 547.22
    AlogP 7.69
    HBond donors 2
    HBond acceptors 4
    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 canSAR467897.