canSAR2163575
FEATURES
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NAMES
    SMILES
    Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(O)=NC(C)C#N)c12
    InChI
    InChI=1S/C24H25FN6O3S/c1-14-9-18(31-35(33)7-4-8-35)11-20-22(14)23(28-13-27-20)30-19-6-5-17(25)10-21(19)34-16(3)24(32)29-15(2)12-26/h5-6,9-11,13,15-16H,4,7-8H2,1-3H3,(H,29,32)(H,27,28,30)/t15?,16-/m0/s1
    MOLECULAR FORMULA
    C24H25FN6O3S
    CROSS REFERENCES
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    canSAR2163575
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight496.17
    AlogP4.96
    HBond donors2
    HBond acceptors9
    Atoms60
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2163575.