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canSAR844637
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NAMES
    SMILES
    CN(C)c1ccc(C2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1
    InChI
    InChI=1S/C20H20N6O4S/c1-23(2)15-5-3-13(4-6-15)20-25(19(28)12-31-20)22-18(27)11-24-17-8-7-16(26(29)30)9-14(17)10-21-24/h3-10,20H,11-12H2,1-2H3,(H,22,27)
    MOLECULAR FORMULA
    C20H20N6O4S
    CROSS REFERENCES
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    canSAR844637

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.13
    AlogP 2.32
    HBond donors 1
    HBond acceptors 10
    Atoms 51
    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 canSAR844637.