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canSAR2004072
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NAMES
    SMILES
    COc1ccccc1CNc1ncc(-c2ccc(F)cc2)n1C.O=C(O)C(=O)O
    InChI
    InChI=1S/C18H18FN3O.C2H2O4/c1-22-16(13-7-9-15(19)10-8-13)12-21-18(22)20-11-14-5-3-4-6-17(14)23-2;3-1(4)2(5)6/h3-10,12H,11H2,1-2H3,(H,20,21);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C20H20FN3O5
    CROSS REFERENCES
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    canSAR2004072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.14
    AlogP 3.00
    HBond donors 3
    HBond acceptors 8
    Atoms 49
    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 canSAR2004072.