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canSAR969805
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccccc1)NP(=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]
    InChI
    InChI=1S/C20H25N6O8P/c1-12-10-26(20(29)22-18(12)27)17-9-14(23-25-21)16(34-17)11-33-35(30,31)24-15(19(28)32-2)8-13-6-4-3-5-7-13/h3-7,10,14-17H,8-9,11H2,1-2H3,(H,22,27,29)(H2,24,30,31)/t14-,15-,16+,17+/m0/s1
    MOLECULAR FORMULA
    C20H25N6O8P
    CROSS REFERENCES
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    canSAR969805

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.15
    AlogP 1.30
    HBond donors 3
    HBond acceptors 14
    Atoms 60
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR969805.