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canSAR112184
FEATURES
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NAMES
    SMILES
    COCCC(=O)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1
    InChI
    InChI=1S/C22H28FN3O2S/c1-28-12-9-20(27)26-10-7-15(8-11-26)14-24-22-25-21-18-13-17(23)6-5-16(18)3-2-4-19(21)29-22/h5-6,13,15H,2-4,7-12,14H2,1H3,(H,24,25)
    MOLECULAR FORMULA
    C22H28FN3O2S
    CROSS REFERENCES
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    canSAR112184

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.19
    AlogP 4.12
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR112184.