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canSAR1620689
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NAMES
    SMILES
    CC(C)OCCCN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(O)nn3)s2)CC1
    InChI
    InChI=1S/C20H30N4O4S2/c1-15(2)28-14-4-11-23(3)16-9-12-24(13-10-16)30(26,27)20-8-6-18(29-20)17-5-7-19(25)22-21-17/h5-8,15-16H,4,9-14H2,1-3H3,(H,22,25)
    MOLECULAR FORMULA
    C20H30N4O4S2
    CROSS REFERENCES
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    canSAR1620689

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.17
    AlogP 2.81
    HBond donors 1
    HBond acceptors 8
    Atoms 60
    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 canSAR1620689.