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canSAR1089708
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NAMES
    SMILES
    CC(C)C[C@@H](Nc1nc(SCc2ccccc2)nc2nc(N)sc12)C(C)(C)O
    InChI
    InChI=1S/C20H27N5OS2/c1-12(2)10-14(20(3,4)26)22-16-15-17(23-18(21)28-15)25-19(24-16)27-11-13-8-6-5-7-9-13/h5-9,12,14,26H,10-11H2,1-4H3,(H3,21,22,23,24,25)/t14-/m1/s1
    MOLECULAR FORMULA
    C20H27N5OS2
    CROSS REFERENCES
    1089708 logo

    canSAR1089708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.17
    AlogP 4.56
    HBond donors 4
    HBond acceptors 6
    Atoms 55
    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 canSAR1089708.