canSAR1006898
FEATURES
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NAMES
    SMILES
    CCCCNP(=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]
    InChI
    InChI=1S/C15H24ClN6O5P/c1-3-4-5-18-28(25,9-16)26-8-12-11(20-21-17)6-13(27-12)22-7-10(2)14(23)19-15(22)24/h7,11-13H,3-6,8-9H2,1-2H3,(H,18,25)(H,19,23,24)/t11-,12+,13+,28?/m0/s1
    MOLECULAR FORMULA
    C15H24ClN6O5P
    CROSS REFERENCES
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    canSAR1006898
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.12
    AlogP2.61
    HBond donors2
    HBond acceptors11
    Atoms52
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1006898.