canSAR2153623
FEATURES
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NAMES
    SMILES
    N#CCCCNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
    InChI
    InChI=1S/C28H28ClF2N9O3/c29-18-4-5-23(43-28(30)31)20(14-18)25-22(36-27(42)21-15-35-40-11-3-10-34-26(21)40)16-39(37-25)17-24(41)38-12-6-19(7-13-38)33-9-2-1-8-32/h3-5,10-11,14-16,19,28,33H,1-2,6-7,9,12-13,17H2,(H,36,42)
    MOLECULAR FORMULA
    C28H28ClF2N9O3
    CROSS REFERENCES
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    canSAR2153623
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight611.20
    AlogP3.98
    HBond donors2
    HBond acceptors12
    Atoms71
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2153623.