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canSAR1092512
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NAMES
    SMILES
    COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2cccc(F)c2F)cc1
    InChI
    InChI=1S/C25H27F2N3O3S/c1-16-14-30(15-17(2)28-16)19-9-12-24(33-3)23(13-19)29-34(31,32)20-10-7-18(8-11-20)21-5-4-6-22(26)25(21)27/h4-13,16-17,28-29H,14-15H2,1-3H3/t16-,17+
    MOLECULAR FORMULA
    C25H27F2N3O3S
    CROSS REFERENCES
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    canSAR1092512

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.17
    AlogP 4.63
    HBond donors 2
    HBond acceptors 6
    Atoms 61
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1092512.