canSAR1587006
FEATURES
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NAMES
    SMILES
    CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1
    InChI
    InChI=1S/C17H17N3OS/c1-17(2,3)12-6-4-11(5-7-12)14-13(10-18)15(21)20-8-9-22-16(20)19-14/h4-7H,8-9H2,1-3H3
    MOLECULAR FORMULA
    C17H17N3OS
    CROSS REFERENCES
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    canSAR1587006
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight311.11
    AlogP3.19
    HBond donors0
    HBond acceptors4
    Atoms39
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1587006.