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canSAR169055
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)OCc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1cccnc1)C(C)C
    InChI
    InChI=1S/C41H50N6O7/c1-27(2)35(46-40(51)53-25-31-17-11-19-42-23-31)38(49)44-33(21-29-13-7-5-8-14-29)37(48)34(22-30-15-9-6-10-16-30)45-39(50)36(28(3)4)47-41(52)54-26-32-18-12-20-43-24-32/h5-20,23-24,27-28,33-37,48H,21-22,25-26H2,1-4H3,(H,44,49)(H,45,50)(H,46,51)(H,47,52)/t33-,34-,35-,36+,37?/m0/s1
    MOLECULAR FORMULA
    C41H50N6O7
    CROSS REFERENCES
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    canSAR169055

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 738.37
    AlogP 4.49
    HBond donors 5
    HBond acceptors 13
    Atoms 104
    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 canSAR169055.