canSAR2168422
FEATURES
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NAMES
    SMILES
    COc1cc(C(=O)N2CC(F)(F)C2)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1
    InChI
    InChI=1S/C27H27F2N5O3/c1-26(2,36)14-34-13-21(12-31-34)17-4-5-19-11-30-24(10-20(19)8-17)32-22-7-6-18(9-23(22)37-3)25(35)33-15-27(28,29)16-33/h4-13,36H,14-16H2,1-3H3,(H,30,32)
    MOLECULAR FORMULA
    C27H27F2N5O3
    CROSS REFERENCES
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    canSAR2168422
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight507.21
    AlogP4.71
    HBond donors2
    HBond acceptors8
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168422.