canSAR2167130
FEATURES
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NAMES
    SMILES
    CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C#N)cc1
    InChI
    InChI=1S/C30H31N3O4S/c1-29(2)13-22-27(24(34)15-29)26(19-7-5-18(17-31)6-8-19)28-23(14-30(3,4)16-25(28)35)33(22)20-9-11-21(12-10-20)38(32,36)37/h5-12,26H,13-16H2,1-4H3,(H2,32,36,37)
    MOLECULAR FORMULA
    C30H31N3O4S
    CROSS REFERENCES
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    canSAR2167130
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight529.20
    AlogP5.10
    HBond donors2
    HBond acceptors7
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167130.