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canSAR1021334
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NAMES
    SMILES
    C[C@@H](N)[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1
    InChI
    InChI=1S/C21H19F3N4O3/c1-10(25)11-4-5-27(8-11)20-16(24)7-13-18(29)14(21(30)31)9-28(19(13)26-20)17-3-2-12(22)6-15(17)23/h2-3,6-7,9-11H,4-5,8,25H2,1H3,(H,30,31)/t10-,11+/m1/s1
    MOLECULAR FORMULA
    C21H19F3N4O3
    CROSS REFERENCES
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    canSAR1021334

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.14
    AlogP 2.67
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    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 canSAR1021334.