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canSAR1125646
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NAMES
    SMILES
    O=C1C(=O)N(Cc2cn([C@@H]3C(=O)N(C4CCCCC4)[C@@H]3/C=C/c3ccccc3)nn2)c2ccc(Br)cc21
    InChI
    InChI=1S/C28H26BrN5O3/c29-19-12-14-23-22(15-19)26(35)28(37)32(23)16-20-17-33(31-30-20)25-24(13-11-18-7-3-1-4-8-18)34(27(25)36)21-9-5-2-6-10-21/h1,3-4,7-8,11-15,17,21,24-25H,2,5-6,9-10,16H2/b13-11+/t24-,25+/m1/s1
    MOLECULAR FORMULA
    C28H26BrN5O3
    CROSS REFERENCES
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    canSAR1125646

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 559.12
    AlogP 4.57
    HBond donors 0
    HBond acceptors 8
    Atoms 63
    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 canSAR1125646.