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canSAR1442359
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NAMES
    SMILES
    O=C1OCCN1C(=O)[C@H]1[C@H](c2ccc(F)cc2)C(c2ccc(F)cc2)=NN1c1ccc(Br)cc1
    InChI
    InChI=1S/C25H18BrF2N3O3/c26-17-5-11-20(12-6-17)31-23(24(32)30-13-14-34-25(30)33)21(15-1-7-18(27)8-2-15)22(29-31)16-3-9-19(28)10-4-16/h1-12,21,23H,13-14H2/t21-,23-/m1/s1
    MOLECULAR FORMULA
    C25H18BrF2N3O3
    CROSS REFERENCES
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    canSAR1442359

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 525.05
    AlogP 5.08
    HBond donors 0
    HBond acceptors 6
    Atoms 52
    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 canSAR1442359.