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canSAR1972261
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NAMES
    SMILES
    Cc1c(-c2cc(Nc3cc4n(n3)CCN(C)C4)c(=O)[nH]n2)cccc1N1Cc2cc(C(C)(C)C)sc2C1=O
    InChI
    InChI=1S/C28H31N7O2S/c1-16-19(7-6-8-22(16)34-14-17-11-23(28(2,3)4)38-25(17)27(34)37)20-13-21(26(36)31-30-20)29-24-12-18-15-33(5)9-10-35(18)32-24/h6-8,11-13H,9-10,14-15H2,1-5H3,(H,31,36)(H,29,30,32)
    MOLECULAR FORMULA
    C28H31N7O2S
    CROSS REFERENCES
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    canSAR1972261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 529.23
    AlogP 4.65
    HBond donors 2
    HBond acceptors 9
    Atoms 69
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1972261.