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canSAR1442576
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NAMES
    SMILES
    O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1nc2ccccc2[nH]1
    InChI
    InChI=1S/C22H24FN7O/c23-15-5-6-20-19(13-15)27-28-30(20)16-8-11-29(12-9-16)14-22(31)24-10-7-21-25-17-3-1-2-4-18(17)26-21/h1-6,13,16H,7-12,14H2,(H,24,31)(H,25,26)
    MOLECULAR FORMULA
    C22H24FN7O
    CROSS REFERENCES
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    canSAR1442576

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.20
    AlogP 2.44
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    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 canSAR1442576.