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canSAR98893
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NAMES
    SMILES
    COc1ccccc1N1CCN(CC(O)COc2ccc3c(c2)SCC(=O)N3)CC1
    InChI
    InChI=1S/C22H27N3O4S/c1-28-20-5-3-2-4-19(20)25-10-8-24(9-11-25)13-16(26)14-29-17-6-7-18-21(12-17)30-15-22(27)23-18/h2-7,12,16,26H,8-11,13-15H2,1H3,(H,23,27)
    MOLECULAR FORMULA
    C22H27N3O4S
    CROSS REFERENCES
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    canSAR98893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.17
    AlogP 2.30
    HBond donors 2
    HBond acceptors 7
    Atoms 57
    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 canSAR98893.