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canSAR1686553
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NAMES
    SMILES
    O=C(CSc1cn(CC(=O)N2CCCC2)c2ccccc12)Nc1ccc(Cl)cc1
    InChI
    InChI=1S/C22H22ClN3O2S/c23-16-7-9-17(10-8-16)24-21(27)15-29-20-13-26(19-6-2-1-5-18(19)20)14-22(28)25-11-3-4-12-25/h1-2,5-10,13H,3-4,11-12,14-15H2,(H,24,27)
    MOLECULAR FORMULA
    C22H22ClN3O2S
    CROSS REFERENCES
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    canSAR1686553

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.11
    AlogP 4.65
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR1686553.