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canSAR99108
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NAMES
    SMILES
    CCc1ccc(C(=O)c2c(SC)cc3n2CCC3C(=O)O)cc1
    InChI
    InChI=1S/C18H19NO3S/c1-3-11-4-6-12(7-5-11)17(20)16-15(23-2)10-14-13(18(21)22)8-9-19(14)16/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)
    MOLECULAR FORMULA
    C18H19NO3S
    CROSS REFERENCES
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    canSAR99108

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.11
    AlogP 3.58
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    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 canSAR99108.