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canSAR2051463
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(-c2csc(N3N=C(c4ccccc4)/C(=N/Nc4ccc5c(S(=O)(=O)O)cc(S(=O)(=O)O)cc5c4)C3=O)n2)cc1
    InChI
    InChI=1S/C30H24N6O7S3/c1-35(2)22-11-8-18(9-12-22)25-17-44-30(31-25)36-29(37)28(27(34-36)19-6-4-3-5-7-19)33-32-21-10-13-24-20(14-21)15-23(45(38,39)40)16-26(24)46(41,42)43/h3-17,32H,1-2H3,(H,38,39,40)(H,41,42,43)/b33-28-
    MOLECULAR FORMULA
    C30H24N6O7S3
    CROSS REFERENCES
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    canSAR2051463

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 676.09
    AlogP 4.74
    HBond donors 3
    HBond acceptors 13
    Atoms 70
    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 canSAR2051463.