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canSAR1013319
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NAMES
    SMILES
    Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCN(S(C)(=O)=O)CC3)c2)[nH]1
    InChI
    InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)
    MOLECULAR FORMULA
    C23H25N5O3S
    CROSS REFERENCES
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    canSAR1013319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.17
    AlogP 3.00
    HBond donors 2
    HBond acceptors 8
    Atoms 57
    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 canSAR1013319.