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canSAR467121
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NAMES
    SMILES
    CCc1nc(N)nc(NCC(C)C)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1
    InChI
    InChI=1S/C24H31N5O2S/c1-5-21-22(23(27-14-16(2)3)29-24(25)28-21)18-8-10-19(11-9-18)26-15-17-6-12-20(13-7-17)32(4,30)31/h6-13,16,26H,5,14-15H2,1-4H3,(H3,25,27,28,29)
    MOLECULAR FORMULA
    C24H31N5O2S
    CROSS REFERENCES
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    canSAR467121

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.22
    AlogP 4.37
    HBond donors 4
    HBond acceptors 7
    Atoms 63
    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 canSAR467121.