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canSAR1651906
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NAMES
    SMILES
    Cc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n12
    InChI
    InChI=1S/C22H20N4O3S/c1-12-7-8-13(2)19-17(12)9-14(3)20-24-25-22(26(19)20)30-11-18(27)23-16-6-4-5-15(10-16)21(28)29/h4-10H,11H2,1-3H3,(H,23,27)(H,28,29)
    MOLECULAR FORMULA
    C22H20N4O3S
    CROSS REFERENCES
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    canSAR1651906

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 420.13
    AlogP 4.24
    HBond donors 2
    HBond acceptors 7
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651906.