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canSAR549497
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NAMES
    SMILES
    CC(C)Cc1cn(-c2ncc(C(=O)O)s2)c2cc(Cl)ccc12
    InChI
    InChI=1S/C16H15ClN2O2S/c1-9(2)5-10-8-19(13-6-11(17)3-4-12(10)13)16-18-7-14(22-16)15(20)21/h3-4,6-9H,5H2,1-2H3,(H,20,21)
    MOLECULAR FORMULA
    C16H15ClN2O2S
    CROSS REFERENCES
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    canSAR549497

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 334.05
    AlogP 4.64
    HBond donors 1
    HBond acceptors 4
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR549497.