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canSAR1014722
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NAMES
    SMILES
    Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)Cc2ccc(C(=N)N)cc2)C(N)=O)cc1
    InChI
    InChI=1S/C36H47N7O5/c1-21-9-11-23(12-10-21)18-27(33(39)45)41-34(46)22(2)40-35(47)29-8-5-17-42(29)36(48)30-20-26-6-3-4-7-28(26)43(30)31(44)19-24-13-15-25(16-14-24)32(37)38/h9-16,22,26-30H,3-8,17-20H2,1-2H3,(H3,37,38)(H2,39,45)(H,40,47)(H,41,46)/t22-,26+,27+,28+,29+,30+/m1/s1
    MOLECULAR FORMULA
    C36H47N7O5
    CROSS REFERENCES
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    canSAR1014722

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 657.36
    AlogP 1.69
    HBond donors 7
    HBond acceptors 12
    Atoms 95
    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 canSAR1014722.