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canSAR1027977
FEATURES
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NAMES
    SMILES
    COc1cc(C(C)NC(=S)NCc2ccc(C(C)(C)C)cc2)ccc1O
    InChI
    InChI=1S/C21H28N2O2S/c1-14(16-8-11-18(24)19(12-16)25-5)23-20(26)22-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,24H,13H2,1-5H3,(H2,22,23,26)
    MOLECULAR FORMULA
    C21H28N2O2S
    CROSS REFERENCES
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    canSAR1027977

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.19
    AlogP 4.42
    HBond donors 3
    HBond acceptors 4
    Atoms 54
    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 canSAR1027977.