canSAR1846404
FEATURES
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NAMES
    SMILES
    C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(NC(=O)c6ccc(N(CC)CC)cc6)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1
    InChI
    InChI=1S/C51H54N8O5/c1-5-28-57-34-47(61)58-45(29-35-16-26-42(60)27-17-35)50(63)56(33-46(58)59(57)51(64)52-30-36-12-9-8-10-13-36)31-39-14-11-15-43-44(32-54(4)48(39)43)37-18-22-40(23-19-37)53-49(62)38-20-24-41(25-21-38)55(6-2)7-3/h5,8-27,32,45-46,60H,1,6-7,28-31,33-34H2,2-4H3,(H,52,64)(H,53,62)/t45-,46-/m0/s1
    MOLECULAR FORMULA
    C51H54N8O5
    CROSS REFERENCES
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    canSAR1846404
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight858.42
    AlogP7.39
    HBond donors3
    HBond acceptors13
    Atoms118
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846404.