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canSAR840842
FEATURES
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NAMES
    SMILES
    CSc1cc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)CCC3(C)O2)ccc1C#N
    InChI
    InChI=1S/C18H18N2O3S/c1-17-6-7-18(2,23-17)14-13(17)15(21)20(16(14)22)11-5-4-10(9-19)12(8-11)24-3/h4-5,8,13-14H,6-7H2,1-3H3/t13-,14+,17?,18?
    MOLECULAR FORMULA
    C18H18N2O3S
    CROSS REFERENCES
    840842 logo

    canSAR840842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.10
    AlogP 2.73
    HBond donors 0
    HBond acceptors 5
    Atoms 42
    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 canSAR840842.