canSAR542680
FEATURES
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NAMES
    SMILES
    Cc1c(/C=C/CN2CCN(c3cc(F)cc(F)c3)CC2)cnn1-c1nccc(N)n1.Cl
    InChI
    InChI=1S/C21H23F2N7.ClH/c1-15-16(14-26-30(15)21-25-5-4-20(24)27-21)3-2-6-28-7-9-29(10-8-28)19-12-17(22)11-18(23)13-19;/h2-5,11-14H,6-10H2,1H3,(H2,24,25,27);1H/b3-2+;
    MOLECULAR FORMULA
    C21H24ClF2N7
    CROSS REFERENCES
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    canSAR542680
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight447.17
    AlogP3.09
    HBond donors2
    HBond acceptors7
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR542680.