canSAR2080614
FEATURES
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NAMES
    SMILES
    CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N=[N+]=[N-])nc(N)nc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1
    InChI
    InChI=1S/C22H28N9O8P/c1-4-36-19(33)12(2)29-40(35,39-13-8-6-5-7-9-13)37-10-14-16(32)22(3,34)20(38-14)31-11-25-15-17(28-30-24)26-21(23)27-18(15)31/h5-9,11-12,14,16,20,32,34H,4,10H2,1-3H3,(H,29,35)(H2,23,26,27)/t12-,14+,16+,20+,22+,40?/m0/s1
    MOLECULAR FORMULA
    C22H28N9O8P
    CROSS REFERENCES
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    canSAR2080614
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight577.18
    AlogP2.10
    HBond donors5
    HBond acceptors17
    Atoms68
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2080614.