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canSAR1026705
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NAMES
    SMILES
    N#CC1=C(SCc2cccc(N3CCOCC3)c2)SC(c2ccc(O)cc2)NC1=O
    InChI
    InChI=1S/C22H21N3O3S2/c23-13-19-20(27)24-21(16-4-6-18(26)7-5-16)30-22(19)29-14-15-2-1-3-17(12-15)25-8-10-28-11-9-25/h1-7,12,21,26H,8-11,14H2,(H,24,27)
    MOLECULAR FORMULA
    C22H21N3O3S2
    CROSS REFERENCES
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    canSAR1026705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 439.10
    AlogP 3.76
    HBond donors 2
    HBond acceptors 6
    Atoms 51
    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 canSAR1026705.