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canSAR1616493
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NAMES
    SMILES
    Cn1cccc1Cc1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccc(F)cc1
    InChI
    InChI=1S/C25H24FN5OS/c1-29-14-5-8-21(29)16-23-27-28-25(31(23)20-12-10-19(26)11-13-20)33-17-24(32)30-15-4-7-18-6-2-3-9-22(18)30/h2-3,5-6,8-14H,4,7,15-17H2,1H3
    MOLECULAR FORMULA
    C25H24FN5OS
    CROSS REFERENCES
    1616493 logo

    canSAR1616493

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.17
    AlogP 4.41
    HBond donors 0
    HBond acceptors 6
    Atoms 57
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616493.