canSAR735080
FEATURES
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NAMES
    SMILES
    C[C@H](O)CNc1nccc(-n2ccnc2-c2ccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)cc2)n1
    InChI
    InChI=1S/C28H28F3N7O3/c1-18(39)17-34-27-33-7-6-24(36-27)38-9-8-32-25(38)19-2-4-22(5-3-19)35-26(40)20-14-21(28(29,30)31)16-23(15-20)37-10-12-41-13-11-37/h2-9,14-16,18,39H,10-13,17H2,1H3,(H,35,40)(H,33,34,36)/t18-/m0/s1
    MOLECULAR FORMULA
    C28H28F3N7O3
    CROSS REFERENCES
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    canSAR735080
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight567.22
    AlogP4.23
    HBond donors3
    HBond acceptors10
    Atoms69
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR735080.