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canSAR1505082
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NAMES
    SMILES
    C=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1sc(NC#N)nc1O
    InChI
    InChI=1S/C20H25N3O2S/c1-11(16-17(25)23-18(26-16)22-10-21)12-8-13(19(2,3)4)15(24)14(9-12)20(5,6)7/h8-9,24-25H,1H2,2-7H3,(H,22,23)
    MOLECULAR FORMULA
    C20H25N3O2S
    CROSS REFERENCES
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    canSAR1505082

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.17
    AlogP 5.10
    HBond donors 3
    HBond acceptors 5
    Atoms 51
    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 canSAR1505082.