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canSAR790682
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NAMES
    SMILES
    O=C(O)CCSCCCCN1C(=O)CC[C@@H]1/C=C/C(O)Cc1ccccc1
    InChI
    InChI=1S/C21H29NO4S/c23-19(16-17-6-2-1-3-7-17)10-8-18-9-11-20(24)22(18)13-4-5-14-27-15-12-21(25)26/h1-3,6-8,10,18-19,23H,4-5,9,11-16H2,(H,25,26)/b10-8+/t18-,19?/m0/s1
    MOLECULAR FORMULA
    C21H29NO4S
    CROSS REFERENCES
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    canSAR790682

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.18
    AlogP 3.13
    HBond donors 2
    HBond acceptors 5
    Atoms 56
    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 canSAR790682.