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canSAR1129221
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NAMES
    SMILES
    O=C(Nc1cccc([N+](=O)[O-])c1)C1CCCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1
    InChI
    InChI=1S/C21H17F6N3O4/c22-20(23,24)14-7-13(8-15(9-14)21(25,26)27)19(32)29-6-2-3-12(11-29)18(31)28-16-4-1-5-17(10-16)30(33)34/h1,4-5,7-10,12H,2-3,6,11H2,(H,28,31)
    MOLECULAR FORMULA
    C21H17F6N3O4
    CROSS REFERENCES
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    canSAR1129221

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.11
    AlogP 5.12
    HBond donors 1
    HBond acceptors 7
    Atoms 51
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129221.