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canSAR498809
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NAMES
    SMILES
    CNC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)C(CC(C)C)CP(=O)(O)Cc1ccc(-c2ccccc2)cc1
    InChI
    InChI=1S/C31H39N2O5P/c1-22(2)18-27(30(34)33-29(31(35)32-3)19-23-12-16-28(38-4)17-13-23)21-39(36,37)20-24-10-14-26(15-11-24)25-8-6-5-7-9-25/h5-17,22,27,29H,18-21H2,1-4H3,(H,32,35)(H,33,34)(H,36,37)/t27?,29-/m1/s1
    MOLECULAR FORMULA
    C31H39N2O5P
    CROSS REFERENCES
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    canSAR498809

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 550.26
    AlogP 5.27
    HBond donors 3
    HBond acceptors 7
    Atoms 78
    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 canSAR498809.