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canSAR120408
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NAMES
    SMILES
    COc1c(O)cc2c(c1OC)-c1ccc(SC)c(=O)cc1[C@@H](N)CC2
    InChI
    InChI=1S/C19H21NO4S/c1-23-18-15(22)8-10-4-6-13(20)12-9-14(21)16(25-3)7-5-11(12)17(10)19(18)24-2/h5,7-9,13,22H,4,6,20H2,1-3H3/t13-/m0/s1
    MOLECULAR FORMULA
    C19H21NO4S
    CROSS REFERENCES
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    canSAR120408

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 359.12
    AlogP 3.10
    HBond donors 3
    HBond acceptors 5
    Atoms 46
    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 canSAR120408.