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canSAR2017434
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)Oc2cc(C(=S)N3CCOCC3)ccc2OC)cc1
    InChI
    InChI=1S/C20H21NO5S/c1-23-16-6-3-14(4-7-16)20(22)26-18-13-15(5-8-17(18)24-2)19(27)21-9-11-25-12-10-21/h3-8,13H,9-12H2,1-2H3
    MOLECULAR FORMULA
    C20H21NO5S
    CROSS REFERENCES
    2017434 logo

    canSAR2017434

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.11
    AlogP 2.93
    HBond donors 0
    HBond acceptors 6
    Atoms 48
    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 canSAR2017434.