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canSAR148998
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NAMES
    SMILES
    Cc1c(Nc2c(C#N)cncc2-c2cc3cc(CN4CCN(S(C)(=O)=O)CC4)ccc3o2)ccc2[nH]ccc12
    InChI
    InChI=1S/C29H28N6O3S/c1-19-23-7-8-32-26(23)5-4-25(19)33-29-22(15-30)16-31-17-24(29)28-14-21-13-20(3-6-27(21)38-28)18-34-9-11-35(12-10-34)39(2,36)37/h3-8,13-14,16-17,32H,9-12,18H2,1-2H3,(H,31,33)
    MOLECULAR FORMULA
    C29H28N6O3S
    CROSS REFERENCES
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    canSAR148998

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 540.19
    AlogP 4.98
    HBond donors 2
    HBond acceptors 9
    Atoms 67
    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 canSAR148998.