canSAR741514
FEATURES
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NAMES
    SMILES
    N=C(N)c1cccc(N2CCCCN(C3CCN(S(=O)(=O)c4ccc(N)cc4)CC3)C2=O)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C23H30N6O3S.2C2HF3O2/c24-18-6-8-21(9-7-18)33(31,32)27-14-10-19(11-15-27)28-12-1-2-13-29(23(28)30)20-5-3-4-17(16-20)22(25)26;2*3-2(4,5)1(6)7/h3-9,16,19H,1-2,10-15,24H2,(H3,25,26);2*(H,6,7)
    MOLECULAR FORMULA
    C27H32F6N6O7S
    CROSS REFERENCES
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    canSAR741514
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight698.20
    AlogP3.69
    HBond donors7
    HBond acceptors13
    Atoms79
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR741514.