canSAR857558
FEATURES
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NAMES
    SMILES
    Brc1ccc(C[N+]23CC[C@]45c6ccccc6N6[C@H]4[C@H]4[C@@H](C[C@@H]52)C(=CCO[C@H]4N2c4ccccc4[C@@]45CC[N+]7(Cc8ccc(Br)cc8)CC8=CCO[C@@H]6[C@@H]([C@H]24)[C@H]8C[C@@H]57)C3)cc1
    InChI
    InChI=1S/C52H52Br2N4O2/c53-35-13-9-31(10-14-35)27-57-21-19-51-39-5-1-3-7-41(39)55-47(51)45-37(25-43(51)57)33(29-57)18-24-60-50(45)56-42-8-4-2-6-40(42)52-20-22-58(28-32-11-15-36(54)16-12-32)30-34-17-23-59-49(55)46(48(52)56)38(34)26-44(52)58/h1-18,37-38,43-50H,19-30H2/q+2/t37-,38-,43-,44-,45+,46+,47-,48-,49+,50+,51+,52+,57?,58?/m0/s1
    MOLECULAR FORMULA
    C52H52Br2N4O2+2
    CROSS REFERENCES
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    canSAR857558
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight922.24
    AlogP9.22
    HBond donors0
    HBond acceptors6
    Atoms112
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR857558.