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canSAR782564
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NAMES
    SMILES
    COc1cccc(C(=O)CN2CCCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](/C=C/C2CCCC(=O)O2)C(C)C)c1
    InChI
    InChI=1S/C35H45N3O6/c1-24(2)29(19-18-27-14-10-17-33(40)44-27)36-34(41)30(21-25-11-5-4-6-12-25)37-35(42)31-16-7-8-20-38(31)23-32(39)26-13-9-15-28(22-26)43-3/h4-6,9,11-13,15,18-19,22,24,27,29-31H,7-8,10,14,16-17,20-21,23H2,1-3H3,(H,36,41)(H,37,42)/b19-18+/t27?,29-,30+,31+/m1/s1
    MOLECULAR FORMULA
    C35H45N3O6
    CROSS REFERENCES
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    canSAR782564

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.33
    AlogP 4.25
    HBond donors 2
    HBond acceptors 9
    Atoms 89
    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 canSAR782564.