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canSAR1012652
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NAMES
    SMILES
    CC1(C)SCCN1C(=O)c1ccc2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3F)sc2c1
    InChI
    InChI=1S/C24H24FN3O3S2/c1-24(2)28(7-8-32-24)22(29)15-4-6-19-20(10-15)33-21(26-19)17-5-3-14(9-18(17)25)11-27-12-16(13-27)23(30)31/h3-6,9-10,16H,7-8,11-13H2,1-2H3,(H,30,31)
    MOLECULAR FORMULA
    C24H24FN3O3S2
    CROSS REFERENCES
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    canSAR1012652

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.12
    AlogP 4.54
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    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 canSAR1012652.