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canSAR1685433
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NAMES
    SMILES
    O=C1CCCC2=C1C(c1ccc(Cl)cc1)n1nc(SCc3cccc4ccccc34)nc1N2
    InChI
    InChI=1S/C26H21ClN4OS/c27-19-13-11-17(12-14-19)24-23-21(9-4-10-22(23)32)28-25-29-26(30-31(24)25)33-15-18-7-3-6-16-5-1-2-8-20(16)18/h1-3,5-8,11-14,24H,4,9-10,15H2,(H,28,29,30)
    MOLECULAR FORMULA
    C26H21ClN4OS
    CROSS REFERENCES
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    canSAR1685433

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.11
    AlogP 6.40
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    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 canSAR1685433.