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canSAR198601
FEATURES
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NAMES
    SMILES
    CC(Cc1ccc(C(=O)O)cc1)(NC(=O)C(Cc1ccc(OP(=O)(O)O)cc1)NC(=O)OCc1cccc(N)c1)C(=O)NC(CC(N)=O)C(N)=O
    InChI
    InChI=1S/C32H37N6O12P/c1-32(16-19-5-9-21(10-6-19)29(42)43,30(44)36-24(27(35)40)15-26(34)39)38-28(41)25(14-18-7-11-23(12-8-18)50-51(46,47)48)37-31(45)49-17-20-3-2-4-22(33)13-20/h2-13,24-25H,14-17,33H2,1H3,(H2,34,39)(H2,35,40)(H,36,44)(H,37,45)(H,38,41)(H,42,43)(H2,46,47,48)
    MOLECULAR FORMULA
    C32H37N6O12P
    CROSS REFERENCES
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    canSAR198601

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.22
    AlogP 0.24
    HBond donors 12
    HBond acceptors 18
    Atoms 88
    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 canSAR198601.