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canSAR1769826
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NAMES
    SMILES
    Cc1ccc(C)c(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)CC2)c1
    InChI
    InChI=1S/C20H22N4O3S/c1-13-3-4-14(2)16(11-13)22-6-8-23(9-7-22)17(25)12-24-19(26)18-15(5-10-28-18)21-20(24)27/h3-5,10-11H,6-9,12H2,1-2H3,(H,21,27)
    MOLECULAR FORMULA
    C20H22N4O3S
    CROSS REFERENCES
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    canSAR1769826

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.14
    AlogP 1.72
    HBond donors 1
    HBond acceptors 7
    Atoms 50
    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 canSAR1769826.