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canSAR669281
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NAMES
    SMILES
    c1ccc2c(c1)CC(c1nc3c(OCCC4CCOC4)cc(-c4cn[nH]c4)cc3s1)CO2
    InChI
    InChI=1S/C25H25N3O3S/c1-2-4-21-17(3-1)9-19(15-31-21)25-28-24-22(30-8-6-16-5-7-29-14-16)10-18(11-23(24)32-25)20-12-26-27-13-20/h1-4,10-13,16,19H,5-9,14-15H2,(H,26,27)
    MOLECULAR FORMULA
    C25H25N3O3S
    CROSS REFERENCES
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    canSAR669281

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.16
    AlogP 5.21
    HBond donors 1
    HBond acceptors 6
    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 canSAR669281.