canSAR2161931
FEATURES
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NAMES
    SMILES
    COC(=O)CNC1CCN(C(=O)Cn2cc(NC(=O)c3cnn4cccnc34)c(-c3cc(Cl)ccc3OC(F)F)n2)CC1
    InChI
    InChI=1S/C27H27ClF2N8O5/c1-42-23(40)13-32-17-5-9-36(10-6-17)22(39)15-37-14-20(34-26(41)19-12-33-38-8-2-7-31-25(19)38)24(35-37)18-11-16(28)3-4-21(18)43-27(29)30/h2-4,7-8,11-12,14,17,27,32H,5-6,9-10,13,15H2,1H3,(H,34,41)
    MOLECULAR FORMULA
    C27H27ClF2N8O5
    CROSS REFERENCES
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    canSAR2161931
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight616.18
    AlogP2.85
    HBond donors2
    HBond acceptors13
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2161931.