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canSAR550251
FEATURES
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NAMES
    SMILES
    N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](N)Cc2ccc(O)cc2)cc1
    InChI
    InChI=1S/C42H44N6O6/c43-35(23-29-11-19-33(49)20-12-29)39(51)47-37(25-27-7-3-1-4-8-27)41(53)45-31-15-17-32(18-16-31)46-42(54)38(26-28-9-5-2-6-10-28)48-40(52)36(44)24-30-13-21-34(50)22-14-30/h1-22,35-38,49-50H,23-26,43-44H2,(H,45,53)(H,46,54)(H,47,51)(H,48,52)/t35-,36-,37-,38-/m1/s1
    MOLECULAR FORMULA
    C42H44N6O6
    CROSS REFERENCES
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    canSAR550251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.33
    AlogP 3.57
    HBond donors 10
    HBond acceptors 12
    Atoms 98
    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 canSAR550251.