canSAR1417439
FEATURES
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NAMES
    SMILES
    COc1ccc(C[C@@H](C(=O)N[C@@H](C)C(N)=O)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1
    InChI
    InChI=1S/C36H50N6O8/c1-22(2)19-28(40-32(44)24(4)39-36(48)50-21-26-11-8-7-9-12-26)34(46)42-18-10-13-29(42)35(47)41(5)30(33(45)38-23(3)31(37)43)20-25-14-16-27(49-6)17-15-25/h7-9,11-12,14-17,22-24,28-30H,10,13,18-21H2,1-6H3,(H2,37,43)(H,38,45)(H,39,48)(H,40,44)/t23-,24-,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C36H50N6O8
    CROSS REFERENCES
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    canSAR1417439
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight694.37
    AlogP1.89
    HBond donors5
    HBond acceptors14
    Atoms100
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417439.