canSAR1387222
FEATURES
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NAMES
    SMILES
    Cn1c(=O)c2c(cc(N3CCC[C@@H](N)C3)n2Cc2cc(F)ccc2C#N)n(C)c1=O
    InChI
    InChI=1S/C21H23FN6O2/c1-25-17-9-18(27-7-3-4-16(24)12-27)28(19(17)20(29)26(2)21(25)30)11-14-8-15(22)6-5-13(14)10-23/h5-6,8-9,16H,3-4,7,11-12,24H2,1-2H3/t16-/m1/s1
    MOLECULAR FORMULA
    C21H23FN6O2
    CROSS REFERENCES
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    canSAR1387222
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight410.19
    AlogP1.03
    HBond donors2
    HBond acceptors8
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387222.