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canSAR550789
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NAMES
    SMILES
    CCCNC(=O)[C@@H]1CC2(CCN(C(=O)[C@@H](CCCc3ccccc3)NC(=O)C(C)(C)N)CC2)c2ccccc21.Cl
    InChI
    InChI=1S/C32H44N4O3.ClH/c1-4-19-34-28(37)25-22-32(26-15-9-8-14-24(25)26)17-20-36(21-18-32)29(38)27(35-30(39)31(2,3)33)16-10-13-23-11-6-5-7-12-23;/h5-9,11-12,14-15,25,27H,4,10,13,16-22,33H2,1-3H3,(H,34,37)(H,35,39);1H/t25-,27-;/m1./s1
    MOLECULAR FORMULA
    C32H45ClN4O3
    CROSS REFERENCES
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    canSAR550789

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.32
    AlogP 4.23
    HBond donors 4
    HBond acceptors 7
    Atoms 85
    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 canSAR550789.