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canSAR652123
FEATURES
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NAMES
    SMILES
    CC1(CN2C(=O)S/C(=C\c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)C2=O)CCCCC1
    InChI
    InChI=1S/C24H25N3O6S2/c1-24(13-3-2-4-14-24)16-26-22(28)21(34-23(26)29)15-17-5-7-18(8-6-17)25-35(32,33)20-11-9-19(10-12-20)27(30)31/h5-12,15,25H,2-4,13-14,16H2,1H3/b21-15-
    MOLECULAR FORMULA
    C24H25N3O6S2
    CROSS REFERENCES
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    canSAR652123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.12
    AlogP 5.40
    HBond donors 1
    HBond acceptors 9
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR652123.