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canSAR1154468
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NAMES
    SMILES
    O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O
    InChI
    InChI=1S/C20H14ClFN4O4/c21-15-8-18-13(7-16(15)22)19(27)14(10-25(18)12-5-6-12)20(28)24-23-9-11-3-1-2-4-17(11)26(29)30/h1-4,7-10,12H,5-6H2,(H,24,28)/b23-9-
    MOLECULAR FORMULA
    C20H14ClFN4O4
    CROSS REFERENCES
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    canSAR1154468

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 428.07
    AlogP 3.80
    HBond donors 1
    HBond acceptors 8
    Atoms 44
    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 canSAR1154468.