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canSAR646190
FEATURES
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NAMES
    SMILES
    CCN(CC)CCNc1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-].O=C(O)C(F)(F)F
    InChI
    InChI=1S/C13H18N6O4.C2HF3O2/c1-3-16(4-2)8-7-14-13-15-18(21)12-9-10(19(22)23)5-6-11(12)17(13)20;3-2(4,5)1(6)7/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,15);(H,6,7)
    MOLECULAR FORMULA
    C15H19F3N6O6
    CROSS REFERENCES
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    canSAR646190

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.13
    AlogP 0.80
    HBond donors 2
    HBond acceptors 12
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR646190.