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canSAR1620899
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NAMES
    SMILES
    CCn1c(SCc2ccccc2C)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21
    InChI
    InChI=1S/C22H23N3O3S/c1-4-25-19-18(16(21(27)28-3)11-17(23-19)14-9-10-14)20(26)24-22(25)29-12-15-8-6-5-7-13(15)2/h5-8,11,14H,4,9-10,12H2,1-3H3
    MOLECULAR FORMULA
    C22H23N3O3S
    CROSS REFERENCES
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    canSAR1620899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.15
    AlogP 4.08
    HBond donors 0
    HBond acceptors 6
    Atoms 52
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1620899.