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canSAR1717128
FEATURES
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NAMES
    SMILES
    COc1ccc(OC)c(/C=C2\SC(N3CCCC(C)C3)=NC2=O)c1
    InChI
    InChI=1S/C18H22N2O3S/c1-12-5-4-8-20(11-12)18-19-17(21)16(24-18)10-13-9-14(22-2)6-7-15(13)23-3/h6-7,9-10,12H,4-5,8,11H2,1-3H3/b16-10-
    MOLECULAR FORMULA
    C18H22N2O3S
    CROSS REFERENCES
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    canSAR1717128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 346.14
    AlogP 3.41
    HBond donors 0
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1717128.