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canSAR2094729
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NAMES
    SMILES
    O=C1/C(=C/N2N=C(c3ccccc3)CC2c2ccccc2O)SC(=S)N1c1cccnc1
    InChI
    InChI=1S/C24H18N4O2S2/c29-21-11-5-4-10-18(21)20-13-19(16-7-2-1-3-8-16)26-27(20)15-22-23(30)28(24(31)32-22)17-9-6-12-25-14-17/h1-12,14-15,20,29H,13H2/b22-15-
    MOLECULAR FORMULA
    C24H18N4O2S2
    CROSS REFERENCES
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    canSAR2094729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.09
    AlogP 4.84
    HBond donors 1
    HBond acceptors 6
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094729.