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canSAR2084753
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NAMES
    SMILES
    COC(=O)C1=C[C@H](N)[C@@H](O)[C@H](OCc2ccc3sccc3c2)C1
    InChI
    InChI=1S/C17H19NO4S/c1-21-17(20)12-7-13(18)16(19)14(8-12)22-9-10-2-3-15-11(6-10)4-5-23-15/h2-7,13-14,16,19H,8-9,18H2,1H3/t13-,14+,16+/m0/s1
    MOLECULAR FORMULA
    C17H19NO4S
    CROSS REFERENCES
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    canSAR2084753

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 333.10
    AlogP 1.98
    HBond donors 3
    HBond acceptors 5
    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 canSAR2084753.