canSAR420414
FEATURES
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NAMES
    SMILES
    C[C@H](NP(=O)(OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)Oc1cccc2ccccc12)C(=O)OC(C)(C)C
    InChI
    InChI=1S/C27H31N8O9P/c1-15(25(39)43-26(2,3)4)32-45(40,44-18-11-7-9-16-8-5-6-10-17(16)18)41-12-27(33-34-28)21(37)20(36)24(42-27)35-14-31-19-22(35)29-13-30-23(19)38/h5-11,13-15,20-21,24,36-37H,12H2,1-4H3,(H,32,40)(H,29,30,38)/t15-,20+,21-,24+,27+,45?/m0/s1
    MOLECULAR FORMULA
    C27H31N8O9P
    CROSS REFERENCES
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    canSAR420414
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight642.20
    AlogP3.05
    HBond donors4
    HBond acceptors17
    Atoms76
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR420414.