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canSAR1685874
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NAMES
    SMILES
    Cc1cccc(C2=NN(c3ccc(Br)cc3)[C@@H](C(=O)N3CCOC3=O)[C@@H]2c2ccc(Cl)cc2)c1
    InChI
    InChI=1S/C26H21BrClN3O3/c1-16-3-2-4-18(15-16)23-22(17-5-9-20(28)10-6-17)24(25(32)30-13-14-34-26(30)33)31(29-23)21-11-7-19(27)8-12-21/h2-12,15,22,24H,13-14H2,1H3/t22-,24-/m1/s1
    MOLECULAR FORMULA
    C26H21BrClN3O3
    CROSS REFERENCES
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    canSAR1685874

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 537.05
    AlogP 5.77
    HBond donors 0
    HBond acceptors 6
    Atoms 55
    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 canSAR1685874.