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canSAR1647770
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NAMES
    SMILES
    Cc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)c(C)n1Cc1ccccc1
    InChI
    InChI=1S/C20H19N5O3S2/c1-12-9-15(13(2)24(12)11-14-7-5-4-6-8-14)10-16-17(21)25-19(22-18(16)26)29-20(23-25)30(3,27)28/h4-10,21H,11H2,1-3H3/b16-10+,21-17?
    MOLECULAR FORMULA
    C20H19N5O3S2
    CROSS REFERENCES
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    canSAR1647770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.09
    AlogP 2.77
    HBond donors 1
    HBond acceptors 8
    Atoms 49
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1647770.