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canSAR930277
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)=O)cc2)c1
    InChI
    InChI=1S/C44H43N6O9P/c1-27(2)20-38(50-44(55)39(49-42(53)33-12-8-29(25-45)9-13-33)21-28-10-18-37(19-11-28)59-60(56,57)58)43(54)48-36-23-34(31-14-16-32(17-15-31)40(46)51)22-35(24-36)41(52)47-26-30-6-4-3-5-7-30/h3-19,22-24,27,38-39H,20-21,26H2,1-2H3,(H2,46,51)(H,47,52)(H,48,54)(H,49,53)(H,50,55)(H2,56,57,58)/t38-,39-/m0/s1
    MOLECULAR FORMULA
    C44H43N6O9P
    CROSS REFERENCES
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    canSAR930277

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 830.28
    AlogP 5.24
    HBond donors 8
    HBond acceptors 15
    Atoms 103
    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 canSAR930277.