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canSAR656586
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NAMES
    SMILES
    O=C1N/C(=N/c2nc(C34CC5CC(CC(C5)C3)C4)cs2)S/C1=C\c1cccc(Cl)c1
    InChI
    InChI=1S/C23H22ClN3OS2/c24-17-3-1-2-13(7-17)8-18-20(28)26-22(30-18)27-21-25-19(12-29-21)23-9-14-4-15(10-23)6-16(5-14)11-23/h1-3,7-8,12,14-16H,4-6,9-11H2,(H,25,26,27,28)/b18-8-
    MOLECULAR FORMULA
    C23H22ClN3OS2
    CROSS REFERENCES
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    canSAR656586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.09
    AlogP 6.16
    HBond donors 1
    HBond acceptors 4
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR656586.