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canSAR1588625
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NAMES
    SMILES
    O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)C1([N+](=O)[O-])C=C3c4ccccc4N(c4ccccc4)C32[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]21
    InChI
    InChI=1S/C36H22Br2N4O6/c37-19-10-14-21(15-11-19)39-31(43)27-29(33(39)45)36-25(24-8-4-5-9-26(24)41(36)23-6-2-1-3-7-23)18-35(27,42(47)48)28-30(36)34(46)40(32(28)44)22-16-12-20(38)13-17-22/h1-18,27-30H/t27-,28+,29+,30-,35?,36?
    MOLECULAR FORMULA
    C36H22Br2N4O6
    CROSS REFERENCES
    1588625 logo

    canSAR1588625

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 763.99
    AlogP 6.14
    HBond donors 0
    HBond acceptors 10
    Atoms 70
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1588625.