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canSAR2092281
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NAMES
    SMILES
    Cc1nc(-c2ccccc2)sc1S(=O)(=O)Nc1ccc(N2CC[C@@H](C(=O)O)C2)c2ccccc12
    InChI
    InChI=1S/C25H23N3O4S2/c1-16-25(33-23(26-16)17-7-3-2-4-8-17)34(31,32)27-21-11-12-22(20-10-6-5-9-19(20)21)28-14-13-18(15-28)24(29)30/h2-12,18,27H,13-15H2,1H3,(H,29,30)/t18-/m1/s1
    MOLECULAR FORMULA
    C25H23N3O4S2
    CROSS REFERENCES
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    canSAR2092281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 493.11
    AlogP 4.98
    HBond donors 2
    HBond acceptors 7
    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 canSAR2092281.