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canSAR1590306
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NAMES
    SMILES
    O=C(c1nn([C@@H]2CCCNC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1
    InChI
    InChI=1S/C20H24N4O4S/c25-20(23-8-10-28-11-9-23)18-16-13-29(26,27)17-6-2-1-5-15(17)19(16)24(22-18)14-4-3-7-21-12-14/h1-2,5-6,14,21H,3-4,7-13H2/t14-/m1/s1
    MOLECULAR FORMULA
    C20H24N4O4S
    CROSS REFERENCES
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    canSAR1590306

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.15
    AlogP 1.23
    HBond donors 1
    HBond acceptors 8
    Atoms 53
    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 canSAR1590306.