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canSAR54770
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NAMES
    SMILES
    C[C@@H](c1c[nH]c2ccccc12)C(NC(=O)C1CCCN(C(c2ccccc2)c2ccccc2)C1)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C41H53N5O4/c1-28(33-26-43-34-22-12-11-21-32(33)34)36(39(48)44-35(23-13-14-24-42)40(49)50-41(2,3)4)45-38(47)31-20-15-25-46(27-31)37(29-16-7-5-8-17-29)30-18-9-6-10-19-30/h5-12,16-19,21-22,26,28,31,35-37,43H,13-15,20,23-25,27,42H2,1-4H3,(H,44,48)(H,45,47)/t28-,31?,35-,36?/m0/s1
    MOLECULAR FORMULA
    C41H53N5O4
    CROSS REFERENCES
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    canSAR54770

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 679.41
    AlogP 6.21
    HBond donors 5
    HBond acceptors 9
    Atoms 103
    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 canSAR54770.