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canSAR120808
FEATURES
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NAMES
    SMILES
    COc1cc(F)ccc1N1CCN(CCC(O)c2csc3ccccc23)CC1
    InChI
    InChI=1S/C22H25FN2O2S/c1-27-21-14-16(23)6-7-19(21)25-12-10-24(11-13-25)9-8-20(26)18-15-28-22-5-3-2-4-17(18)22/h2-7,14-15,20,26H,8-13H2,1H3
    MOLECULAR FORMULA
    C22H25FN2O2S
    CROSS REFERENCES
    120808 logo

    canSAR120808

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.16
    AlogP 4.29
    HBond donors 1
    HBond acceptors 4
    Atoms 53
    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 canSAR120808.