canSAR2080528
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1ccc(CN2C[C@@H]3OCCN(c4ncccn4)[C@@H]3C2)nc1
    InChI
    InChI=1S/C16H19N5O.3C2HF3O2/c1-2-5-17-13(4-1)10-20-11-14-15(12-20)22-9-8-21(14)16-18-6-3-7-19-16;3*3-2(4,5)1(6)7/h1-7,14-15H,8-12H2;3*(H,6,7)/t14-,15+;;;/m1.../s1
    MOLECULAR FORMULA
    C22H22F9N5O7
    CROSS REFERENCES
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    canSAR2080528
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight639.14
    AlogP2.86
    HBond donors3
    HBond acceptors12
    Atoms65
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080528.