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canSAR1270505
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)CCc2ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc2O3)[nH]1)C(C)C
    InChI
    InChI=1S/C42H52N8O7/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-31(49)37-43-21-29(45-37)26-15-16-33-28(19-26)14-12-25-11-13-27(20-34(25)57-33)30-22-44-38(46-30)32-10-8-18-50(32)40(52)36(24(3)4)48-42(54)56-6/h11,13,15-16,19-24,31-32,35-36H,7-10,12,14,17-18H2,1-6H3,(H,43,45)(H,44,46)(H,47,53)(H,48,54)/t31-,32-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C42H52N8O7
    CROSS REFERENCES
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    canSAR1270505

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 780.40
    AlogP 6.45
    HBond donors 4
    HBond acceptors 15
    Atoms 109
    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 canSAR1270505.