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canSAR500644
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NAMES
    SMILES
    O=S(=O)(CCN1CCC(N2CCCC2)CC1)N1CCc2c(nc(O)c3ccccc23)C1
    InChI
    InChI=1S/C23H32N4O3S/c28-23-21-6-2-1-5-19(21)20-9-14-27(17-22(20)24-23)31(29,30)16-15-25-12-7-18(8-13-25)26-10-3-4-11-26/h1-2,5-6,18H,3-4,7-17H2,(H,24,28)
    MOLECULAR FORMULA
    C23H32N4O3S
    CROSS REFERENCES
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    canSAR500644

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 444.22
    AlogP 2.19
    HBond donors 1
    HBond acceptors 7
    Atoms 63
    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 canSAR500644.