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canSAR1085681
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NAMES
    SMILES
    Cc1c(Cl)cccc1C(=O)N1CCC[C@H](n2nnc(-c3ccccc3)n2)C1
    InChI
    InChI=1S/C20H20ClN5O/c1-14-17(10-5-11-18(14)21)20(27)25-12-6-9-16(13-25)26-23-19(22-24-26)15-7-3-2-4-8-15/h2-5,7-8,10-11,16H,6,9,12-13H2,1H3/t16-/m0/s1
    MOLECULAR FORMULA
    C20H20ClN5O
    CROSS REFERENCES
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    canSAR1085681

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.14
    AlogP 3.78
    HBond donors 0
    HBond acceptors 6
    Atoms 47
    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 canSAR1085681.