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canSAR83829
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NAMES
    SMILES
    Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1CCCc1cccnc1
    InChI
    InChI=1S/C21H22FN3/c22-15-5-7-18-17(11-15)21-19(24-18)12-16-6-8-20(21)25(16)10-2-4-14-3-1-9-23-13-14/h1,3,5,7,9,11,13,16,20,24H,2,4,6,8,10,12H2
    MOLECULAR FORMULA
    C21H22FN3
    CROSS REFERENCES
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    canSAR83829

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 335.18
    AlogP 4.40
    HBond donors 1
    HBond acceptors 3
    Atoms 47
    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 canSAR83829.