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canSAR2087145
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NAMES
    SMILES
    c1csc(-c2cc(CNC34CC5CC(C3)C3(CO3)C(C5)C4)no2)c1
    InChI
    InChI=1S/C19H22N2O2S/c1-2-17(24-3-1)16-6-15(21-23-16)10-20-18-7-12-4-13(8-18)19(11-22-19)14(5-12)9-18/h1-3,6,12-14,20H,4-5,7-11H2
    MOLECULAR FORMULA
    C19H22N2O2S
    CROSS REFERENCES
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    canSAR2087145

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.14
    AlogP 3.84
    HBond donors 1
    HBond acceptors 4
    Atoms 46
    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 canSAR2087145.