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canSAR913716
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(=O)NCc2ccccc2)cc(-c2ccc(C#N)cc2)c1
    InChI
    InChI=1S/C44H41N6O8P/c1-28(2)20-39(50-44(54)40(49-42(52)34-16-10-31(26-46)11-17-34)21-29-12-18-38(19-13-29)58-59(55,56)57)43(53)48-37-23-35(33-14-8-30(25-45)9-15-33)22-36(24-37)41(51)47-27-32-6-4-3-5-7-32/h3-19,22-24,28,39-40H,20-21,27H2,1-2H3,(H,47,51)(H,48,53)(H,49,52)(H,50,54)(H2,55,56,57)/t39-,40-/m0/s1
    MOLECULAR FORMULA
    C44H41N6O8P
    CROSS REFERENCES
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    canSAR913716

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 812.27
    AlogP 6.01
    HBond donors 6
    HBond acceptors 14
    Atoms 100
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR913716.