canSAR2916
FEATURES
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NAMES
    SMILES
    CCOC(=O)CP(=O)(OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-])OC1CCCCC1
    InChI
    InChI=1S/C20H30N5O8P/c1-3-30-18(26)12-34(29,33-14-7-5-4-6-8-14)31-11-16-15(23-24-21)9-17(32-16)25-10-13(2)19(27)22-20(25)28/h10,14-17H,3-9,11-12H2,1-2H3,(H,22,27,28)
    MOLECULAR FORMULA
    C20H30N5O8P
    CROSS REFERENCES
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    canSAR2916
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight499.18
    AlogP2.93
    HBond donors1
    HBond acceptors13
    Atoms64
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2916.