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canSAR2020395
FEATURES
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NAMES
    SMILES
    C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(C(=O)Nc5ccc(N6CC(N7CCN(C)CC7)C6)nc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1
    InChI
    InChI=1S/C48H55N11O5/c1-4-19-57-32-44(61)58-41(24-33-13-16-38(60)17-14-33)47(63)56(31-43(58)59(57)48(64)50-25-34-9-6-5-7-10-34)27-35-11-8-12-39-40(30-53(3)45(35)39)46(62)51-36-15-18-42(49-26-36)55-28-37(29-55)54-22-20-52(2)21-23-54/h4-18,26,30,37,41,43,60H,1,19-25,27-29,31-32H2,2-3H3,(H,50,64)(H,51,62)/t41-,43-/m0/s1
    MOLECULAR FORMULA
    C48H55N11O5
    CROSS REFERENCES
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    canSAR2020395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 865.44
    AlogP 3.70
    HBond donors 3
    HBond acceptors 16
    Atoms 119
    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 canSAR2020395.