canSAR2080196
FEATURES
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NAMES
    SMILES
    O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1Cc1cccnc1
    InChI
    InChI=1S/C17H19N3O2.2C2HF3O2/c21-17-16-11-19(7-14-3-5-22-12-14)9-15(16)10-20(17)8-13-2-1-4-18-6-13;2*3-2(4,5)1(6)7/h1-6,12,15-16H,7-11H2;2*(H,6,7)/t15-,16-;;/m0../s1
    MOLECULAR FORMULA
    C21H21F6N3O6
    CROSS REFERENCES
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    canSAR2080196
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight525.13
    AlogP3.03
    HBond donors2
    HBond acceptors9
    Atoms57
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080196.