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canSAR1765455
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NAMES
    SMILES
    CC1(C)[C@H]2C[C@@H]1[C@@H]([C@@H]1c3cc(-c4ccccn4)ncc3[C@@H]3C[C@H]1C3(C)C)c1cc(-c3ccccn3)ncc12
    InChI
    InChI=1S/C34H34N4/c1-33(2)23-15-25(33)31(19-13-29(37-17-21(19)23)27-9-5-7-11-35-27)32-20-14-30(28-10-6-8-12-36-28)38-18-22(20)24-16-26(32)34(24,3)4/h5-14,17-18,23-26,31-32H,15-16H2,1-4H3/t23-,24-,25+,26+,31-,32+/m0/s1
    MOLECULAR FORMULA
    C34H34N4
    CROSS REFERENCES
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    canSAR1765455

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.28
    AlogP 7.75
    HBond donors 0
    HBond acceptors 4
    Atoms 72
    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 canSAR1765455.