canSAR2059119
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2cccnc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
    InChI
    InChI=1S/C48H54N10O7/c1-26(2)40(54-47(61)63-5)44(59)56-18-8-11-36(56)42-50-24-33(52-42)28-14-16-35-31(20-28)21-38-32-15-13-29(22-39(32)65-46(58(35)38)30-10-7-17-49-23-30)34-25-51-43(53-34)37-12-9-19-57(37)45(60)41(27(3)4)55-48(62)64-6/h7,10,13-17,20-27,36-37,40-41,46H,8-9,11-12,18-19H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t36-,37-,40-,41-,46?/m0/s1
    MOLECULAR FORMULA
    C48H54N10O7
    CROSS REFERENCES
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    canSAR2059119
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight882.42
    AlogP7.51
    HBond donors4
    HBond acceptors17
    Atoms119
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2059119.