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canSAR1408498
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NAMES
    SMILES
    CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(C(=O)CCSC)C1
    InChI
    InChI=1S/C20H29NO4S/c1-4-25-19(23)20(14-16-7-5-8-17(13-16)24-2)10-6-11-21(15-20)18(22)9-12-26-3/h5,7-8,13H,4,6,9-12,14-15H2,1-3H3
    MOLECULAR FORMULA
    C20H29NO4S
    CROSS REFERENCES
    1408498 logo

    canSAR1408498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 379.18
    AlogP 3.16
    HBond donors 0
    HBond acceptors 5
    Atoms 55
    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 canSAR1408498.