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canSAR1524851
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NAMES
    SMILES
    O=C(NCc1ccccc1)NS(=O)(=O)c1ccc(N2N=C(c3ccco3)CC2c2c3ccccc3cc3ccccc23)cc1
    InChI
    InChI=1S/C35H28N4O4S/c40-35(36-23-24-9-2-1-3-10-24)38-44(41,42)28-18-16-27(17-19-28)39-32(22-31(37-39)33-15-8-20-43-33)34-29-13-6-4-11-25(29)21-26-12-5-7-14-30(26)34/h1-21,32H,22-23H2,(H2,36,38,40)
    MOLECULAR FORMULA
    C35H28N4O4S
    CROSS REFERENCES
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    canSAR1524851

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.18
    AlogP 7.13
    HBond donors 2
    HBond acceptors 8
    Atoms 72
    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 canSAR1524851.