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canSAR1596206
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NAMES
    SMILES
    C=CCn1c(O)c(N=NC(S)=Nc2ccccc2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21
    InChI
    InChI=1S/C23H25N5O4S2/c1-3-10-28-20-9-8-17(34(30,31)27-11-13-32-14-12-27)15-18(20)21(22(28)29)25-26-23(33)24-19-7-5-4-6-16(19)2/h3-9,15,29H,1,10-14H2,2H3,(H,24,33)
    MOLECULAR FORMULA
    C23H25N5O4S2
    CROSS REFERENCES
    1596206 logo

    canSAR1596206

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 499.13
    AlogP 4.56
    HBond donors 1
    HBond acceptors 9
    Atoms 59
    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 canSAR1596206.