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canSAR1405458
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NAMES
    SMILES
    O=C(CSc1ccc2ccccc2c1)NCCc1ccc(O)c(O)c1
    InChI
    InChI=1S/C20H19NO3S/c22-18-8-5-14(11-19(18)23)9-10-21-20(24)13-25-17-7-6-15-3-1-2-4-16(15)12-17/h1-8,11-12,22-23H,9-10,13H2,(H,21,24)
    MOLECULAR FORMULA
    C20H19NO3S
    CROSS REFERENCES
    1405458 logo

    canSAR1405458

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.11
    AlogP 3.70
    HBond donors 3
    HBond acceptors 4
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1405458.