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canSAR106557
FEATURES
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NAMES
    SMILES
    CCN(CC)C(=O)[C@H](C)[C@H]1CC[C@@H](C[C@@H](C)n2cc(C#Cc3cccc4ccccc34)nn2)O1
    InChI
    InChI=1S/C28H34N4O2/c1-5-31(6-2)28(33)21(4)27-17-16-25(34-27)18-20(3)32-19-24(29-30-32)15-14-23-12-9-11-22-10-7-8-13-26(22)23/h7-13,19-21,25,27H,5-6,16-18H2,1-4H3/t20-,21-,25+,27-/m1/s1
    MOLECULAR FORMULA
    C28H34N4O2
    CROSS REFERENCES
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    canSAR106557

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.27
    AlogP 4.83
    HBond donors 0
    HBond acceptors 6
    Atoms 68
    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 canSAR106557.